7KX

N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide

Created:	2016-11-07
Last modified:	2024-09-27

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	16

2D diagram of 7KX

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Chemical Component Summary
Name	N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide
Systematic Name (OpenEye OEToolkits)	~{N}-[3-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide
Formula	C₁₅ H₁₄ N₄ O
Molecular Weight	266.298
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2cnc(c1cccc(c1)NC(CC)=O)c3c2ncc3
SMILES	CACTVS	3.385	CCC(=O)Nc1cccc(c1)c2ncnc3[nH]ccc23
SMILES	OpenEye OEToolkits	2.0.6	CCC(=O)Nc1cccc(c1)c2c3cc[nH]c3ncn2
Canonical SMILES	CACTVS	3.385	CCC(=O)Nc1cccc(c1)c2ncnc3[nH]ccc23
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCC(=O)Nc1cccc(c1)c2c3cc[nH]c3ncn2
InChI	InChI	1.03	InChI=1S/C15H14N4O/c1-2-13(20)19-11-5-3-4-10(8-11)14-12-6-7-16-15(12)18-9-17-14/h3-9H,2H2,1H3,(H,19,20)(H,16,17,18)
InChIKey	InChI	1.03	KBXLCIHWXYBYSJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137348637

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