4-[(4-methyl-3-pyridinyl)methylcarbamoyl]benzoic acid

C15H14N2O3 — CID 114957277

IUPAC4-[(4-methyl-3-pyridinyl)methylcarbamoyl]benzoic acid
SMILESCc1ccncc1CNC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H14N2O3/c1-10-6-7-16-8-13(10)9-17-14(18)11-2-4-12(5-3-11)15(19)20/h2-8H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyUIKRQVGLFOJPIO-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.02
Rot. Bonds4

About 4-[(4-methyl-3-pyridinyl)methylcarbamoyl]benzoic acid

4-[(4-methyl-3-pyridinyl)methylcarbamoyl]benzoic acid (PubChem CID 114957277) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-[(4-methyl-3-pyridinyl)methylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(4-methyl-3-pyridinyl)methylcarbamoyl]benzoic acid
PubChem CID114957277
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name4-[(4-methyl-3-pyridinyl)methylcarbamoyl]benzoic acid
SMILESCc1ccncc1CNC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H14N2O3/c1-10-6-7-16-8-13(10)9-17-14(18)11-2-4-12(5-3-11)15(19)20/h2-8H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyUIKRQVGLFOJPIO-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

3-amino-4-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954315
2-bromo-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114037435
3,5-difluoro-4-hydrazinyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114957550
4-(difluoromethyl)-3,5-difluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 166012096
2-hydroxy-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114956373
6-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 114701610
3-bromo-4-[(4-methyl-3-pyridinyl)methylamino]benzoic acid
CID 114957587
3-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954387
2-(ethylamino)-6-methyl-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114957522
3-(benzamidomethyl)-4-methylbenzoic acid
CID 178053095
N-[(4-methyl-3-pyridinyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 107036589
2-bromo-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 107982625

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-3-pyridinyl)methylcarbamoyl]benzoic acid?
The IUPAC name of 4-[(4-methyl-3-pyridinyl)methylcarbamoyl]benzoic acid (CID 114957277) is 4-[(4-methyl-3-pyridinyl)methylcarbamoyl]benzoic acid.
What is the SMILES notation for 4-[(4-methyl-3-pyridinyl)methylcarbamoyl]benzoic acid?
The canonical SMILES for 4-[(4-methyl-3-pyridinyl)methylcarbamoyl]benzoic acid is Cc1ccncc1CNC(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(4-methyl-3-pyridinyl)methylcarbamoyl]benzoic acid?
The InChIKey is UIKRQVGLFOJPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-6-7-16-8-13(10)9-17-14(18)11-2-4-12(5-3-11)15(19)20/h2-8H,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[(4-methyl-3-pyridinyl)methylcarbamoyl]benzoic acid?
4-[(4-methyl-3-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 4-[(4-methyl-3-pyridinyl)methylcarbamoyl]benzoic acid is sourced from PubChem (CID 114957277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).