2-[methyl-(2-pyridin-3-ylacetyl)amino]benzoic acid

C15H14N2O3 — CID 62689152

IUPAC2-[methyl-(2-pyridin-3-ylacetyl)amino]benzoic acid
SMILESCN(C(=O)Cc1cccnc1)c1ccccc1C(=O)O
InChIInChI=1S/C15H14N2O3/c1-17(13-7-3-2-6-12(13)15(19)20)14(18)9-11-5-4-8-16-10-11/h2-8,10H,9H2,1H3,(H,19,20)
InChIKeyUKGZIAVPBNORFD-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.99
Rot. Bonds4

About 2-[methyl-(2-pyridin-3-ylacetyl)amino]benzoic acid

2-[methyl-(2-pyridin-3-ylacetyl)amino]benzoic acid (PubChem CID 62689152) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[methyl-(2-pyridin-3-ylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[methyl-(2-pyridin-3-ylacetyl)amino]benzoic acid
PubChem CID62689152
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-[methyl-(2-pyridin-3-ylacetyl)amino]benzoic acid
SMILESCN(C(=O)Cc1cccnc1)c1ccccc1C(=O)O
InChIInChI=1S/C15H14N2O3/c1-17(13-7-3-2-6-12(13)15(19)20)14(18)9-11-5-4-8-16-10-11/h2-8,10H,9H2,1H3,(H,19,20)
InChIKeyUKGZIAVPBNORFD-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-aminophenyl)acetyl]-methylamino]benzoic acid
CID 65349872
N-methyl-2-pyridin-3-ylacetohydrazide
CID 116844877
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid
CID 43471408
2-[3-methoxypropanoyl(methyl)amino]benzoic acid
CID 55023389
N-(3-fluorophenyl)-N-methyl-2-pyridin-3-ylacetamide
CID 71916629
N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922676
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
4-[methyl-(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 62691218
N-ethyl-N-iodo-2-pyridin-3-ylacetamide
CID 143532975
1-(2-benzylphenyl)-1-methyl-3-(pyridin-3-ylmethyl)urea
CID 21487121
CID 66868100
CID 66868100

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-pyridin-3-ylacetyl)amino]benzoic acid?
The IUPAC name of 2-[methyl-(2-pyridin-3-ylacetyl)amino]benzoic acid (CID 62689152) is 2-[methyl-(2-pyridin-3-ylacetyl)amino]benzoic acid.
What is the SMILES notation for 2-[methyl-(2-pyridin-3-ylacetyl)amino]benzoic acid?
The canonical SMILES for 2-[methyl-(2-pyridin-3-ylacetyl)amino]benzoic acid is CN(C(=O)Cc1cccnc1)c1ccccc1C(=O)O.
What is the InChIKey of 2-[methyl-(2-pyridin-3-ylacetyl)amino]benzoic acid?
The InChIKey is UKGZIAVPBNORFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-17(13-7-3-2-6-12(13)15(19)20)14(18)9-11-5-4-8-16-10-11/h2-8,10H,9H2,1H3,(H,19,20).
What are the key properties of 2-[methyl-(2-pyridin-3-ylacetyl)amino]benzoic acid?
2-[methyl-(2-pyridin-3-ylacetyl)amino]benzoic acid has a molecular weight of 270.29 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-pyridin-3-ylacetyl)amino]benzoic acid is sourced from PubChem (CID 62689152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).