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

C14H12N4O — CID 105069773

IUPAC3-amino-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide
SMILESN#Cc1cccc(CNC(=O)c2ccncc2N)c1
InChIInChI=1S/C14H12N4O/c15-7-10-2-1-3-11(6-10)8-18-14(19)12-4-5-17-9-13(12)16/h1-6,9H,8,16H2,(H,18,19)
InChIKeyIZLHRHDAIIEXCV-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.47
Rot. Bonds3

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

3-amino-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide (PubChem CID 105069773) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-amino-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide
PubChem CID105069773
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name3-amino-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide
SMILESN#Cc1cccc(CNC(=O)c2ccncc2N)c1
InChIInChI=1S/C14H12N4O/c15-7-10-2-1-3-11(6-10)8-18-14(19)12-4-5-17-9-13(12)16/h1-6,9H,8,16H2,(H,18,19)
InChIKeyIZLHRHDAIIEXCV-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(4-cyanophenyl)methyl]pyridine-4-carboxamide
CID 105069753
N-[(3-cyanophenyl)methyl]-4-hydrazinylpyridine-3-carboxamide
CID 81256233
3-amino-N-[(3-cyanophenyl)methyl]-2-methylbenzamide
CID 61101981
3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide
CID 61103321
5-amino-N-[(3-cyanophenyl)methyl]-2,4-dimethylbenzamide
CID 102705125
3-amino-N-[(3-cyanophenyl)methyl]-2,5-difluorobenzamide
CID 107120616
2-amino-N-[(3-cyanophenyl)methyl]-6-methylbenzamide
CID 61102170
N-[(3-cyanophenyl)methyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81244932
N-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283577
N-[(3-cyanophenyl)methyl]-2H-triazole-4-carboxamide
CID 47338495
2-amino-N-[(3-cyanophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 55115826
2-bromo-N-[(3-cyanophenyl)methyl]-3-methylbenzamide
CID 103853121

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-amino-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide (CID 105069773) is 3-amino-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-amino-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide is N#Cc1cccc(CNC(=O)c2ccncc2N)c1.
What is the InChIKey of 3-amino-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide?
The InChIKey is IZLHRHDAIIEXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-7-10-2-1-3-11(6-10)8-18-14(19)12-4-5-17-9-13(12)16/h1-6,9H,8,16H2,(H,18,19).
What are the key properties of 3-amino-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide?
3-amino-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 105069773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).