4-[(3-methylphenyl)methylamino]pyridine-2-carboxylic acid

C14H14N2O2 — CID 54944792

IUPAC4-[(3-methylphenyl)methylamino]pyridine-2-carboxylic acid
SMILESCc1cccc(CNc2ccnc(C(=O)O)c2)c1
InChIInChI=1S/C14H14N2O2/c1-10-3-2-4-11(7-10)9-16-12-5-6-15-13(8-12)14(17)18/h2-8H,9H2,1H3,(H,15,16)(H,17,18)
InChIKeyFOVVLTGAJBFEEE-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.70
Rot. Bonds4

About 4-[(3-methylphenyl)methylamino]pyridine-2-carboxylic acid

4-[(3-methylphenyl)methylamino]pyridine-2-carboxylic acid (PubChem CID 54944792) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-[(3-methylphenyl)methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methylphenyl)methylamino]pyridine-2-carboxylic acid
PubChem CID54944792
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-[(3-methylphenyl)methylamino]pyridine-2-carboxylic acid
SMILESCc1cccc(CNc2ccnc(C(=O)O)c2)c1
InChIInChI=1S/C14H14N2O2/c1-10-3-2-4-11(7-10)9-16-12-5-6-15-13(8-12)14(17)18/h2-8H,9H2,1H3,(H,15,16)(H,17,18)
InChIKeyFOVVLTGAJBFEEE-UHFFFAOYSA-N
XLogP2.70
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chlorophenyl)methylamino]pyridine-2-carboxylic acid
CID 62533427
[4-[(3-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208062
N-(2,5-dimethylphenyl)-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210329
N-[(4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210281
methyl 3-[[4-[(3-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
CID 109210371
4-[(3-methylphenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109210364
3-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]benzoic acid
CID 60893530
N-[2-(2-fluorophenyl)ethyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210289
4-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 62179336
N-(3-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213141
methyl 4-(benzylamino)pyridine-2-carboxylate
CID 66008646
2-[(3-methylphenyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 80569053

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenyl)methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(3-methylphenyl)methylamino]pyridine-2-carboxylic acid (CID 54944792) is 4-[(3-methylphenyl)methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(3-methylphenyl)methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(3-methylphenyl)methylamino]pyridine-2-carboxylic acid is Cc1cccc(CNc2ccnc(C(=O)O)c2)c1.
What is the InChIKey of 4-[(3-methylphenyl)methylamino]pyridine-2-carboxylic acid?
The InChIKey is FOVVLTGAJBFEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10-3-2-4-11(7-10)9-16-12-5-6-15-13(8-12)14(17)18/h2-8H,9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-[(3-methylphenyl)methylamino]pyridine-2-carboxylic acid?
4-[(3-methylphenyl)methylamino]pyridine-2-carboxylic acid has a molecular weight of 242.28 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylphenyl)methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 54944792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).