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

C14H12N2O2 — CID 673698

IUPACN-(4-acetylphenyl)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C14H12N2O2/c1-10(17)11-4-6-13(7-5-11)16-14(18)12-3-2-8-15-9-12/h2-9H,1H3,(H,16,18)
InChIKeyYIWLVFFTMWIVIJ-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.54
Rot. Bonds3

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

N-(4-acetylphenyl)pyridine-3-carboxamide (PubChem CID 673698) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-(4-acetylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)pyridine-3-carboxamide
PubChem CID673698
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC NameN-(4-acetylphenyl)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C14H12N2O2/c1-10(17)11-4-6-13(7-5-11)16-14(18)12-3-2-8-15-9-12/h2-9H,1H3,(H,16,18)
InChIKeyYIWLVFFTMWIVIJ-UHFFFAOYSA-N
XLogP2.54
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)pyridine-3-carboxamide (CID 673698) is N-(4-acetylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)pyridine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2cccnc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)pyridine-3-carboxamide?
The InChIKey is YIWLVFFTMWIVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-10(17)11-4-6-13(7-5-11)16-14(18)12-3-2-8-15-9-12/h2-9H,1H3,(H,16,18).
What are the key properties of N-(4-acetylphenyl)pyridine-3-carboxamide?
N-(4-acetylphenyl)pyridine-3-carboxamide has a molecular weight of 240.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 673698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).