N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide

C17H13N3O — CID 166320523

IUPACN-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cccc(-c2ccncc2)c1)c1ccncc1
InChIInChI=1S/C17H13N3O/c21-17(14-6-10-19-11-7-14)20-16-3-1-2-15(12-16)13-4-8-18-9-5-13/h1-12H,(H,20,21)
InChIKeyLMELCZGAEIXPKY-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.40
Rot. Bonds3

About N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide

N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide (PubChem CID 166320523) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide
PubChem CID166320523
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC NameN-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cccc(-c2ccncc2)c1)c1ccncc1
InChIInChI=1S/C17H13N3O/c21-17(14-6-10-19-11-7-14)20-16-3-1-2-15(12-16)13-4-8-18-9-5-13/h1-12H,(H,20,21)
InChIKeyLMELCZGAEIXPKY-UHFFFAOYSA-N
XLogP3.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide
CID 110444896
N-[3-(1-methylpyrazol-4-yl)phenyl]pyridine-4-carboxamide
CID 110482049
N-(3-pyridin-3-ylphenyl)-4-pyrimidin-5-ylbenzamide
CID 25058459
1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 171423296
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-4-carboxamide
CID 110643697
4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride
CID 163329221
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 17197451
4-[3-[(4-fluorobenzoyl)amino]phenyl]-N-hydroxybenzamide
CID 10308934
3-phenyl-N-pyridin-3-ylbenzamide
CID 110723041

Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide?
The IUPAC name of N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide (CID 166320523) is N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide is O=C(Nc1cccc(-c2ccncc2)c1)c1ccncc1.
What is the InChIKey of N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide?
The InChIKey is LMELCZGAEIXPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c21-17(14-6-10-19-11-7-14)20-16-3-1-2-15(12-16)13-4-8-18-9-5-13/h1-12H,(H,20,21).
What are the key properties of N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide?
N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 166320523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).