N-[(3-cyanophenyl)methyl]-4-hydrazinylpyridine-3-carboxamide

C14H13N5O — CID 81256233

IUPACN-[(3-cyanophenyl)methyl]-4-hydrazinylpyridine-3-carboxamide
SMILESN#Cc1cccc(CNC(=O)c2cnccc2NN)c1
InChIInChI=1S/C14H13N5O/c15-7-10-2-1-3-11(6-10)8-18-14(20)12-9-17-5-4-13(12)19-16/h1-6,9H,8,16H2,(H,17,19)(H,18,20)
InChIKeyKYJMTBLMZBULFQ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.17
Rot. Bonds4

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

N-[(3-cyanophenyl)methyl]-4-hydrazinylpyridine-3-carboxamide (PubChem CID 81256233) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-4-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-4-hydrazinylpyridine-3-carboxamide
PubChem CID81256233
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC NameN-[(3-cyanophenyl)methyl]-4-hydrazinylpyridine-3-carboxamide
SMILESN#Cc1cccc(CNC(=O)c2cnccc2NN)c1
InChIInChI=1S/C14H13N5O/c15-7-10-2-1-3-11(6-10)8-18-14(20)12-9-17-5-4-13(12)19-16/h1-6,9H,8,16H2,(H,17,19)(H,18,20)
InChIKeyKYJMTBLMZBULFQ-UHFFFAOYSA-N
XLogP1.17
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide
CID 105069773
N-[(3-cyanophenyl)methyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81244932
3-chloro-N-[(3-cyanophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
CID 62312640
N-[(3-cyanophenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81238313
3-amino-N-[(3-cyanophenyl)methyl]-2-methylbenzamide
CID 61101981
N-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283577
N-[(3-cyanophenyl)methyl]-2-(ethylamino)benzamide
CID 62314064
5-amino-N-[(3-cyanophenyl)methyl]-2,4-dimethylbenzamide
CID 102705125
3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide
CID 61103321
N-[(3-cyanophenyl)methyl]-2H-triazole-4-carboxamide
CID 47338495
3-amino-N-[(3-cyanophenyl)methyl]-2,5-difluorobenzamide
CID 107120616
3-[[(3-chloro-4-pyridinyl)amino]methyl]benzonitrile
CID 79840330

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-4-hydrazinylpyridine-3-carboxamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-4-hydrazinylpyridine-3-carboxamide (CID 81256233) is N-[(3-cyanophenyl)methyl]-4-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-4-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-4-hydrazinylpyridine-3-carboxamide is N#Cc1cccc(CNC(=O)c2cnccc2NN)c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-4-hydrazinylpyridine-3-carboxamide?
The InChIKey is KYJMTBLMZBULFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c15-7-10-2-1-3-11(6-10)8-18-14(20)12-9-17-5-4-13(12)19-16/h1-6,9H,8,16H2,(H,17,19)(H,18,20).
What are the key properties of N-[(3-cyanophenyl)methyl]-4-hydrazinylpyridine-3-carboxamide?
N-[(3-cyanophenyl)methyl]-4-hydrazinylpyridine-3-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-4-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 81256233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).