4-(5-acetyl-3-pyridinyl)benzamide

C14H12N2O2 — CID 155555762

IUPAC4-(5-acetyl-3-pyridinyl)benzamide
SMILESCC(=O)c1cncc(-c2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C14H12N2O2/c1-9(17)12-6-13(8-16-7-12)10-2-4-11(5-3-10)14(15)18/h2-8H,1H3,(H2,15,18)
InChIKeyUJTYFPSLFACLDZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.05
Rot. Bonds3

About 4-(5-acetyl-3-pyridinyl)benzamide

4-(5-acetyl-3-pyridinyl)benzamide (PubChem CID 155555762) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-(5-acetyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(5-acetyl-3-pyridinyl)benzamide
PubChem CID155555762
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name4-(5-acetyl-3-pyridinyl)benzamide
SMILESCC(=O)c1cncc(-c2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C14H12N2O2/c1-9(17)12-6-13(8-16-7-12)10-2-4-11(5-3-10)14(15)18/h2-8H,1H3,(H2,15,18)
InChIKeyUJTYFPSLFACLDZ-UHFFFAOYSA-N
XLogP2.05
TPSA73.05 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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Metyrapone
CID 4174
4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanone
CID 47289
4-Benzoylpyridine
CID 26731
Phenyl-3-pyridinylmethanone
CID 21540
3,5-Dimethyl-N-(4-pyridinylmethyl)benzamide
CID 40146
4-Phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one
CID 3071506
Ethanedione, di-3-pyridinyl-
CID 260384
CV 6504
CID 93543
4-Methyl-3-pyridinecarboxamide
CID 95692
N-(3-phenylpropyl)pyridine-3-carboxamide
CID 4648643
3-Dimethylamino-1-(3-pyridyl)-2-propen-1-one
CID 5369165
Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, chloride (1:1)
CID 78774

Frequently Asked Questions

What is the IUPAC name of 4-(5-acetyl-3-pyridinyl)benzamide?
The IUPAC name of 4-(5-acetyl-3-pyridinyl)benzamide (CID 155555762) is 4-(5-acetyl-3-pyridinyl)benzamide.
What is the SMILES notation for 4-(5-acetyl-3-pyridinyl)benzamide?
The canonical SMILES for 4-(5-acetyl-3-pyridinyl)benzamide is CC(=O)c1cncc(-c2ccc(C(N)=O)cc2)c1.
What is the InChIKey of 4-(5-acetyl-3-pyridinyl)benzamide?
The InChIKey is UJTYFPSLFACLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-9(17)12-6-13(8-16-7-12)10-2-4-11(5-3-10)14(15)18/h2-8H,1H3,(H2,15,18).
What are the key properties of 4-(5-acetyl-3-pyridinyl)benzamide?
4-(5-acetyl-3-pyridinyl)benzamide has a molecular weight of 240.26 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-acetyl-3-pyridinyl)benzamide is sourced from PubChem (CID 155555762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).