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

C14H12N4O — CID 105069753

IUPAC3-amino-N-[(4-cyanophenyl)methyl]pyridine-4-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2ccncc2N)cc1
InChIInChI=1S/C14H12N4O/c15-7-10-1-3-11(4-2-10)8-18-14(19)12-5-6-17-9-13(12)16/h1-6,9H,8,16H2,(H,18,19)
InChIKeyFZQNACDNNYORGX-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.47
Rot. Bonds3

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

3-amino-N-[(4-cyanophenyl)methyl]pyridine-4-carboxamide (PubChem CID 105069753) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-amino-N-[(4-cyanophenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(4-cyanophenyl)methyl]pyridine-4-carboxamide
PubChem CID105069753
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name3-amino-N-[(4-cyanophenyl)methyl]pyridine-4-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2ccncc2N)cc1
InChIInChI=1S/C14H12N4O/c15-7-10-1-3-11(4-2-10)8-18-14(19)12-5-6-17-9-13(12)16/h1-6,9H,8,16H2,(H,18,19)
InChIKeyFZQNACDNNYORGX-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-[(3-cyanophenyl)methyl]pyridine-4-carboxamide
CID 105069773
N-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide
CID 110471356
2-amino-N-[[4-(4-cyanophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104232
N-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 78951088
3-amino-N-(1,3-thiazol-2-ylmethyl)pyridine-4-carboxamide
CID 105069243
N-[(4-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283449
N-[(3-cyanophenyl)methyl]-4-hydrazinylpyridine-3-carboxamide
CID 81256233
3-amino-N-(2-methylpropyl)pyridine-4-carboxamide
CID 110848376
2-amino-N-[(4-cyanophenyl)methyl]acetamide
CID 60919000
N-[(4-cyanophenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 47161871
N-[(4-cyanophenyl)methyl]-2-(ethylamino)pyridine-3-carboxamide
CID 62269325
3-amino-N-[(4-cyanophenyl)methyl]benzamide
CID 54937872

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-cyanophenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-amino-N-[(4-cyanophenyl)methyl]pyridine-4-carboxamide (CID 105069753) is 3-amino-N-[(4-cyanophenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-amino-N-[(4-cyanophenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-amino-N-[(4-cyanophenyl)methyl]pyridine-4-carboxamide is N#Cc1ccc(CNC(=O)c2ccncc2N)cc1.
What is the InChIKey of 3-amino-N-[(4-cyanophenyl)methyl]pyridine-4-carboxamide?
The InChIKey is FZQNACDNNYORGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-7-10-1-3-11(4-2-10)8-18-14(19)12-5-6-17-9-13(12)16/h1-6,9H,8,16H2,(H,18,19).
What are the key properties of 3-amino-N-[(4-cyanophenyl)methyl]pyridine-4-carboxamide?
3-amino-N-[(4-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-[(4-cyanophenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 105069753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).