3-(1-methyl-6-oxo-3-pyridinyl)benzamide

C13H12N2O2 — CID 167913473

IUPAC3-(1-methyl-6-oxo-3-pyridinyl)benzamide
SMILESCn1cc(-c2cccc(C(N)=O)c2)ccc1=O
InChIInChI=1S/C13H12N2O2/c1-15-8-11(5-6-12(15)16)9-3-2-4-10(7-9)13(14)17/h2-8H,1H3,(H2,14,17)
InChIKeyVGBRFHAZQQVTGK-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.15
Rot. Bonds2

About 3-(1-methyl-6-oxo-3-pyridinyl)benzamide

3-(1-methyl-6-oxo-3-pyridinyl)benzamide (PubChem CID 167913473) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-(1-methyl-6-oxo-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-(1-methyl-6-oxo-3-pyridinyl)benzamide
PubChem CID167913473
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name3-(1-methyl-6-oxo-3-pyridinyl)benzamide
SMILESCn1cc(-c2cccc(C(N)=O)c2)ccc1=O
InChIInChI=1S/C13H12N2O2/c1-15-8-11(5-6-12(15)16)9-3-2-4-10(7-9)13(14)17/h2-8H,1H3,(H2,14,17)
InChIKeyVGBRFHAZQQVTGK-UHFFFAOYSA-N
XLogP1.15
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(4-piperidin-1-ylphenyl)benzamide
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5-(3-carbamoylphenyl)-2-chlorobenzoic acid
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3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 71189662
3-(3-cyano-4-hydroxyphenyl)benzamide
CID 53219963
N-(3-acetylphenyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 110693091
3-[3-fluoro-4-(trifluoromethyl)phenyl]benzamide
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3-[3-(2-methylprop-2-enyl)phenyl]benzamide
CID 143169964

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-6-oxo-3-pyridinyl)benzamide?
The IUPAC name of 3-(1-methyl-6-oxo-3-pyridinyl)benzamide (CID 167913473) is 3-(1-methyl-6-oxo-3-pyridinyl)benzamide.
What is the SMILES notation for 3-(1-methyl-6-oxo-3-pyridinyl)benzamide?
The canonical SMILES for 3-(1-methyl-6-oxo-3-pyridinyl)benzamide is Cn1cc(-c2cccc(C(N)=O)c2)ccc1=O.
What is the InChIKey of 3-(1-methyl-6-oxo-3-pyridinyl)benzamide?
The InChIKey is VGBRFHAZQQVTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-15-8-11(5-6-12(15)16)9-3-2-4-10(7-9)13(14)17/h2-8H,1H3,(H2,14,17).
What are the key properties of 3-(1-methyl-6-oxo-3-pyridinyl)benzamide?
3-(1-methyl-6-oxo-3-pyridinyl)benzamide has a molecular weight of 228.25 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-6-oxo-3-pyridinyl)benzamide is sourced from PubChem (CID 167913473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).