18P

N-{3-[(2R)-6-amino-2,4-dimethyl-3-oxo-2,3,4,5-tetrahydropyrazin-2-yl]phenyl}-5-chloropyridine-2-carboxamide

Created:	2011-10-13
Last modified:	2011-10-13

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1 entries where 18P is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	1
Bond Count	46
Aromatic Bond Count	12

2D diagram of 18P

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Chemical Component Summary
Name	N-{3-[(2R)-6-amino-2,4-dimethyl-3-oxo-2,3,4,5-tetrahydropyrazin-2-yl]phenyl}-5-chloropyridine-2-carboxamide
Systematic Name (OpenEye OEToolkits)	N-[3-[(5R)-3-azanyl-1,5-dimethyl-6-oxidanylidene-2H-pyrazin-5-yl]phenyl]-5-chloranyl-pyridine-2-carboxamide
Formula	C₁₈ H₁₈ Cl N₅ O₂
Molecular Weight	371.821
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccc(nc1)C(=O)Nc2cccc(c2)C3(N=C(N)CN(C3=O)C)C
SMILES	CACTVS	3.370	CN1CC(=N[C](C)(C1=O)c2cccc(NC(=O)c3ccc(Cl)cn3)c2)N
SMILES	OpenEye OEToolkits	1.7.2	CC1(C(=O)N(CC(=N1)N)C)c2cccc(c2)NC(=O)c3ccc(cn3)Cl
Canonical SMILES	CACTVS	3.370	CN1CC(=N[C@@](C)(C1=O)c2cccc(NC(=O)c3ccc(Cl)cn3)c2)N
Canonical SMILES	OpenEye OEToolkits	1.7.2	C[C@]1(C(=O)N(CC(=N1)N)C)c2cccc(c2)NC(=O)c3ccc(cn3)Cl
InChI	InChI	1.03	InChI=1S/C18H18ClN5O2/c1-18(17(26)24(2)10-15(20)23-18)11-4-3-5-13(8-11)22-16(25)14-7-6-12(19)9-21-14/h3-9H,10H2,1-2H3,(H2,20,23)(H,22,25)/t18-/m1/s1
InChIKey	InChI	1.03	MRYFMHAPTQCQLE-GOSISDBHSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1923160
PubChem	53481984
ChEMBL	CHEMBL1923160

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