2-amino-6-chloro-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide

C14H11ClN4O — CID 62314787

IUPAC2-amino-6-chloro-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide
SMILESN#Cc1cccc(CNC(=O)c2cc(N)nc(Cl)c2)c1
InChIInChI=1S/C14H11ClN4O/c15-12-5-11(6-13(17)19-12)14(20)18-8-10-3-1-2-9(4-10)7-16/h1-6H,8H2,(H2,17,19)(H,18,20)
InChIKeyQKMSIUREOAONSH-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.12
Rot. Bonds3

About 2-amino-6-chloro-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide

2-amino-6-chloro-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide (PubChem CID 62314787) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide
PubChem CID62314787
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name2-amino-6-chloro-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide
SMILESN#Cc1cccc(CNC(=O)c2cc(N)nc(Cl)c2)c1
InChIInChI=1S/C14H11ClN4O/c15-12-5-11(6-13(17)19-12)14(20)18-8-10-3-1-2-9(4-10)7-16/h1-6H,8H2,(H2,17,19)(H,18,20)
InChIKeyQKMSIUREOAONSH-UHFFFAOYSA-N
XLogP2.12
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide
CID 61103321
N-[(3-cyanophenyl)methyl]-4-sulfanylbenzamide
CID 107028201
3-amino-N-[(3-cyanophenyl)methyl]-5-fluoro-4-methylbenzamide
CID 61102742
3-chloro-N-[(3-cyanophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
CID 62312640
2-amino-N-[(3-cyanophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 55115826
N-[(3-cyanophenyl)methyl]-4-hydroxy-3-methylbenzamide
CID 103951763
2-amino-6-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 55057389
3-bromo-N-[(3-cyanophenyl)methyl]-5-methylbenzamide
CID 104851511
N-[(4-aminophenyl)methyl]-3-cyanobenzamide
CID 60893168
2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide
CID 62503408
N-[(3-cyanophenyl)methyl]-5-methylfuran-3-carboxamide
CID 114820614
3-amino-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide
CID 105069773

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide (CID 62314787) is 2-amino-6-chloro-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide is N#Cc1cccc(CNC(=O)c2cc(N)nc(Cl)c2)c1.
What is the InChIKey of 2-amino-6-chloro-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide?
The InChIKey is QKMSIUREOAONSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-12-5-11(6-13(17)19-12)14(20)18-8-10-3-1-2-9(4-10)7-16/h1-6H,8H2,(H2,17,19)(H,18,20).
What are the key properties of 2-amino-6-chloro-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide?
2-amino-6-chloro-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide has a molecular weight of 286.72 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 62314787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).