4-pyridin-3-ylbenzamide

C12H10N2O — CID 57428036

IUPAC4-pyridin-3-ylbenzamide
SMILESNC(=O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C12H10N2O/c13-12(15)10-5-3-9(4-6-10)11-2-1-7-14-8-11/h1-8H,(H2,13,15)
InChIKeyHRWJRXNTRLZCAI-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.85
Rot. Bonds2

About 4-pyridin-3-ylbenzamide

4-pyridin-3-ylbenzamide (PubChem CID 57428036) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-pyridin-3-ylbenzamide
PubChem CID57428036
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name4-pyridin-3-ylbenzamide
SMILESNC(=O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C12H10N2O/c13-12(15)10-5-3-9(4-6-10)11-2-1-7-14-8-11/h1-8H,(H2,13,15)
InChIKeyHRWJRXNTRLZCAI-UHFFFAOYSA-N
XLogP1.85
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Nicotinamide
CID 936
Disopyramide
CID 3114
Metyrapone
CID 4174
Isonicotinamide
CID 15074
Daporinad
CID 6914657
4-Benzoylpyridine
CID 26731
Phenyl-3-pyridinylmethanone
CID 21540
Enisamium Iodide
CID 10089466
2-Benzoylpyridine
CID 7038
3,5-Dimethyl-N-(4-pyridinylmethyl)benzamide
CID 40146
(4-Fluorophenyl)(pyridin-4-yl)methanone
CID 7023019
Vamicamide
CID 65967

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-ylbenzamide?
The IUPAC name of 4-pyridin-3-ylbenzamide (CID 57428036) is 4-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-pyridin-3-ylbenzamide?
The canonical SMILES for 4-pyridin-3-ylbenzamide is NC(=O)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of 4-pyridin-3-ylbenzamide?
The InChIKey is HRWJRXNTRLZCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c13-12(15)10-5-3-9(4-6-10)11-2-1-7-14-8-11/h1-8H,(H2,13,15).
What are the key properties of 4-pyridin-3-ylbenzamide?
4-pyridin-3-ylbenzamide has a molecular weight of 198.22 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-ylbenzamide is sourced from PubChem (CID 57428036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).