6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid

C15H14N2O3 — CID 43427191

IUPAC6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCN(Cc1ccccc1)C(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C15H14N2O3/c1-17(10-11-5-3-2-4-6-11)14(18)13-8-7-12(9-16-13)15(19)20/h2-9H,10H2,1H3,(H,19,20)
InChIKeyVGPFHBAYLOVJDI-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.05
Rot. Bonds4

About 6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid

6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 43427191) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID43427191
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCN(Cc1ccccc1)C(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C15H14N2O3/c1-17(10-11-5-3-2-4-6-11)14(18)13-8-7-12(9-16-13)15(19)20/h2-9H,10H2,1H3,(H,19,20)
InChIKeyVGPFHBAYLOVJDI-UHFFFAOYSA-N
XLogP2.05
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-benzyl-5-N-methylpyridine-2,5-dicarboxamide
CID 47460377
N-benzyl-5-(tert-butylamino)-N-methylpyridine-2-carboxamide
CID 109189123
N-benzyl-5-[2-(dimethylamino)ethylamino]-N-methylpyridine-2-carboxamide
CID 109185471
5-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-2-carboxamide
CID 109187351
N-benzyl-5-(4-ethylpiperazin-1-yl)-N-methylpyridine-2-carboxamide
CID 109186763
6-[methyl(pentyl)carbamoyl]pyridine-3-carboxylic acid
CID 43452990
N-benzyl-N-methyl-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109189121
methyl 6-[[4-(dimethylamino)phenyl]methyl-methylcarbamoyl]pyridine-3-carboxylate
CID 35745836
6-(diethylcarbamoyl)pyridine-3-carboxylic acid
CID 43427227
6-[tert-butyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 115116607
5-amino-N-[(4-carbamoylphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81310441
5-(azepan-1-yl)-N-benzyl-N-methylpyrazine-2-carboxamide
CID 109281067

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid (CID 43427191) is 6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid is CN(Cc1ccccc1)C(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is VGPFHBAYLOVJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-17(10-11-5-3-2-4-6-11)14(18)13-8-7-12(9-16-13)15(19)20/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid?
6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 43427191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).