3-[(3-methyl-2-pyridinyl)methylcarbamoyl]benzoic acid

C15H14N2O3 — CID 63309087

IUPAC3-[(3-methyl-2-pyridinyl)methylcarbamoyl]benzoic acid
SMILESCc1cccnc1CNC(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C15H14N2O3/c1-10-4-3-7-16-13(10)9-17-14(18)11-5-2-6-12(8-11)15(19)20/h2-8H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyMALRXVAJBLFOTB-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.02
Rot. Bonds4

About 3-[(3-methyl-2-pyridinyl)methylcarbamoyl]benzoic acid

3-[(3-methyl-2-pyridinyl)methylcarbamoyl]benzoic acid (PubChem CID 63309087) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-[(3-methyl-2-pyridinyl)methylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(3-methyl-2-pyridinyl)methylcarbamoyl]benzoic acid
PubChem CID63309087
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-[(3-methyl-2-pyridinyl)methylcarbamoyl]benzoic acid
SMILESCc1cccnc1CNC(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C15H14N2O3/c1-10-4-3-7-16-13(10)9-17-14(18)11-5-2-6-12(8-11)15(19)20/h2-8H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyMALRXVAJBLFOTB-UHFFFAOYSA-N
XLogP2.02
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 103956033
4-fluoro-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 55205389
2-(methylamino)-N-[(3-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 55204056
5-bromo-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-carboxamide
CID 63310048
4-amino-3,5-difluoro-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309173
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 63306526
2,5-dihydroxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 103892445
4-amino-3-[(3-methyl-2-pyridinyl)methylamino]benzoic acid
CID 82795636
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
2-[[(3-methylpyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324145
4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 113268641
6-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 63306782

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-2-pyridinyl)methylcarbamoyl]benzoic acid?
The IUPAC name of 3-[(3-methyl-2-pyridinyl)methylcarbamoyl]benzoic acid (CID 63309087) is 3-[(3-methyl-2-pyridinyl)methylcarbamoyl]benzoic acid.
What is the SMILES notation for 3-[(3-methyl-2-pyridinyl)methylcarbamoyl]benzoic acid?
The canonical SMILES for 3-[(3-methyl-2-pyridinyl)methylcarbamoyl]benzoic acid is Cc1cccnc1CNC(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(3-methyl-2-pyridinyl)methylcarbamoyl]benzoic acid?
The InChIKey is MALRXVAJBLFOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-4-3-7-16-13(10)9-17-14(18)11-5-2-6-12(8-11)15(19)20/h2-8H,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(3-methyl-2-pyridinyl)methylcarbamoyl]benzoic acid?
3-[(3-methyl-2-pyridinyl)methylcarbamoyl]benzoic acid has a molecular weight of 270.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-2-pyridinyl)methylcarbamoyl]benzoic acid is sourced from PubChem (CID 63309087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).