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

C13H9N3O — CID 734714

IUPACN-(3-cyanophenyl)pyridine-4-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C13H9N3O/c14-9-10-2-1-3-12(8-10)16-13(17)11-4-6-15-7-5-11/h1-8H,(H,16,17)
InChIKeyFUHAIHTUMUMQEW-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.21
Rot. Bonds2

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

N-(3-cyanophenyl)pyridine-4-carboxamide (PubChem CID 734714) has the molecular formula C13H9N3O and a molecular weight of 223.24 g/mol. Its IUPAC name is N-(3-cyanophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)pyridine-4-carboxamide
PubChem CID734714
Molecular FormulaC13H9N3O
Molecular Weight223.24 g/mol
Exact Mass223.07
IUPAC NameN-(3-cyanophenyl)pyridine-4-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C13H9N3O/c14-9-10-2-1-3-12(8-10)16-13(17)11-4-6-15-7-5-11/h1-8H,(H,16,17)
InChIKeyFUHAIHTUMUMQEW-UHFFFAOYSA-N
XLogP2.21
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
N-(3-cyanophenyl)-4-iodobenzamide
CID 875242
1-(3-cyanophenyl)-3-pyridin-4-ylurea
CID 110706525
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049974
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931
N-(3-cyanophenyl)-4-propan-2-ylbenzamide
CID 2552298
N-(3-cyanophenyl)-4-ethylbenzamide
CID 2552285
N-(3-cyanophenyl)-4-(iodomethyl)benzamide
CID 91264729
2-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092850
N-[4-[1-[1-(3-cyanophenyl)ethylamino]ethyl]phenyl]pyridine-4-carboxamide
CID 166200125
4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109093227

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)pyridine-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)pyridine-4-carboxamide (CID 734714) is N-(3-cyanophenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)pyridine-4-carboxamide is N#Cc1cccc(NC(=O)c2ccncc2)c1.
What is the InChIKey of N-(3-cyanophenyl)pyridine-4-carboxamide?
The InChIKey is FUHAIHTUMUMQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c14-9-10-2-1-3-12(8-10)16-13(17)11-4-6-15-7-5-11/h1-8H,(H,16,17).
What are the key properties of N-(3-cyanophenyl)pyridine-4-carboxamide?
N-(3-cyanophenyl)pyridine-4-carboxamide has a molecular weight of 223.24 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 734714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).