6-amino-N-[4-(cyanomethyl)phenyl]pyridine-3-carboxamide

C14H12N4O — CID 62302246

IUPAC6-amino-N-[4-(cyanomethyl)phenyl]pyridine-3-carboxamide
SMILESN#CCc1ccc(NC(=O)c2ccc(N)nc2)cc1
InChIInChI=1S/C14H12N4O/c15-8-7-10-1-4-12(5-2-10)18-14(19)11-3-6-13(16)17-9-11/h1-6,9H,7H2,(H2,16,17)(H,18,19)
InChIKeyDHTXQERZIFGADF-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.98
Rot. Bonds3

About 6-amino-N-[4-(cyanomethyl)phenyl]pyridine-3-carboxamide

6-amino-N-[4-(cyanomethyl)phenyl]pyridine-3-carboxamide (PubChem CID 62302246) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 6-amino-N-[4-(cyanomethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[4-(cyanomethyl)phenyl]pyridine-3-carboxamide
PubChem CID62302246
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name6-amino-N-[4-(cyanomethyl)phenyl]pyridine-3-carboxamide
SMILESN#CCc1ccc(NC(=O)c2ccc(N)nc2)cc1
InChIInChI=1S/C14H12N4O/c15-8-7-10-1-4-12(5-2-10)18-14(19)11-3-6-13(16)17-9-11/h1-6,9H,7H2,(H2,16,17)(H,18,19)
InChIKeyDHTXQERZIFGADF-UHFFFAOYSA-N
XLogP1.98
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyanomethyl)phenyl]-6-(methylamino)pyridine-3-carboxamide
CID 62302226
6-amino-N-(4-propylphenyl)pyridine-3-carboxamide
CID 62154771
N-(4-acetamidophenyl)-6-aminopyridine-3-carboxamide
CID 110861506
N-[4-(cyanomethyl)phenyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 33427699
3,4-dichloro-N-[4-(cyanomethyl)phenyl]benzamide
CID 674696
N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 60787828
N-[4-(cyanomethyl)phenyl]-3,4-dihydroxybenzamide
CID 103955439
2-(5-amino-2-pyridinyl)-N-[4-(cyanomethyl)phenyl]acetamide
CID 107337812
6-amino-N-[4-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62154747
N-[4-(cyanomethyl)phenyl]-5-(ethylamino)pyridine-2-carboxamide
CID 104641096
6-amino-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 62059203
6-amino-N-(3,5-difluorophenyl)pyridine-3-carboxamide
CID 62154384

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[4-(cyanomethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-[4-(cyanomethyl)phenyl]pyridine-3-carboxamide (CID 62302246) is 6-amino-N-[4-(cyanomethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[4-(cyanomethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-[4-(cyanomethyl)phenyl]pyridine-3-carboxamide is N#CCc1ccc(NC(=O)c2ccc(N)nc2)cc1.
What is the InChIKey of 6-amino-N-[4-(cyanomethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is DHTXQERZIFGADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-8-7-10-1-4-12(5-2-10)18-14(19)11-3-6-13(16)17-9-11/h1-6,9H,7H2,(H2,16,17)(H,18,19).
What are the key properties of 6-amino-N-[4-(cyanomethyl)phenyl]pyridine-3-carboxamide?
6-amino-N-[4-(cyanomethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[4-(cyanomethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 62302246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).