N-(2-amino-4-cyanophenyl)pyridine-3-carboxamide

C13H10N4O — CID 78965630

IUPACN-(2-amino-4-cyanophenyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cccnc2)c(N)c1
InChIInChI=1S/C13H10N4O/c14-7-9-3-4-12(11(15)6-9)17-13(18)10-2-1-5-16-8-10/h1-6,8H,15H2,(H,17,18)
InChIKeyGJQBDXYOQIARBH-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.79
Rot. Bonds2

About N-(2-amino-4-cyanophenyl)pyridine-3-carboxamide

N-(2-amino-4-cyanophenyl)pyridine-3-carboxamide (PubChem CID 78965630) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is N-(2-amino-4-cyanophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-cyanophenyl)pyridine-3-carboxamide
PubChem CID78965630
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC NameN-(2-amino-4-cyanophenyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cccnc2)c(N)c1
InChIInChI=1S/C13H10N4O/c14-7-9-3-4-12(11(15)6-9)17-13(18)10-2-1-5-16-8-10/h1-6,8H,15H2,(H,17,18)
InChIKeyGJQBDXYOQIARBH-UHFFFAOYSA-N
XLogP1.79
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-cyanophenyl)pyridine-3-carboxamide
CID 82708795
N-(2-amino-4-cyanophenyl)-4-iodobenzamide
CID 78965375
N-(2-amino-4-cyanophenyl)-3,5-dibromobenzamide
CID 107971053
N-(2-amino-4-cyanophenyl)-4-methylbenzamide
CID 78965634
N-(2-amino-4-cyanophenyl)-3-fluoro-4-methylbenzamide
CID 78965367
N-(2-amino-4-cyanophenyl)-3-bromo-4-fluorobenzamide
CID 107948846
N-(6-amino-1,3-benzodioxol-5-yl)pyridine-3-carboxamide;dihydrochloride
CID 75415042
N-(2-amino-4-cyanophenyl)-3-bromo-5-fluorobenzamide
CID 78965489
N-(2-amino-4-cyanophenyl)-2,2-dimethylpropanamide
CID 78965394
N-(2-amino-4-cyanophenyl)-5-methylfuran-2-carboxamide
CID 78965516
N-(2-amino-4,6-difluorophenyl)pyridine-3-carboxamide
CID 81315271
N-(2-amino-4-cyanophenyl)-4-fluoro-3-methoxybenzamide
CID 81287674

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-cyanophenyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-4-cyanophenyl)pyridine-3-carboxamide (CID 78965630) is N-(2-amino-4-cyanophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-4-cyanophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-4-cyanophenyl)pyridine-3-carboxamide is N#Cc1ccc(NC(=O)c2cccnc2)c(N)c1.
What is the InChIKey of N-(2-amino-4-cyanophenyl)pyridine-3-carboxamide?
The InChIKey is GJQBDXYOQIARBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-7-9-3-4-12(11(15)6-9)17-13(18)10-2-1-5-16-8-10/h1-6,8H,15H2,(H,17,18).
What are the key properties of N-(2-amino-4-cyanophenyl)pyridine-3-carboxamide?
N-(2-amino-4-cyanophenyl)pyridine-3-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-cyanophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 78965630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).