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

C15H16N2O2 — CID 25109943

IUPAC6-methyl-2-[(3-methylphenyl)methylamino]pyridine-3-carboxylic acid
SMILESCc1cccc(CNc2nc(C)ccc2C(=O)O)c1
InChIInChI=1S/C15H16N2O2/c1-10-4-3-5-12(8-10)9-16-14-13(15(18)19)7-6-11(2)17-14/h3-8H,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyLJBYMOUFZRTPOH-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.01
Rot. Bonds4

About 6-methyl-2-[(3-methylphenyl)methylamino]pyridine-3-carboxylic acid

6-methyl-2-[(3-methylphenyl)methylamino]pyridine-3-carboxylic acid (PubChem CID 25109943) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-methyl-2-[(3-methylphenyl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-[(3-methylphenyl)methylamino]pyridine-3-carboxylic acid
PubChem CID25109943
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name6-methyl-2-[(3-methylphenyl)methylamino]pyridine-3-carboxylic acid
SMILESCc1cccc(CNc2nc(C)ccc2C(=O)O)c1
InChIInChI=1S/C15H16N2O2/c1-10-4-3-5-12(8-10)9-16-14-13(15(18)19)7-6-11(2)17-14/h3-8H,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyLJBYMOUFZRTPOH-UHFFFAOYSA-N
XLogP3.01
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 62711478
6-chloro-2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxylic acid
CID 63537357
2-fluoro-4-[(3-methylphenyl)methylamino]benzoic acid
CID 113319749
6-methyl-2-[(4-nitrophenyl)methylamino]pyridine-3-carboxylic acid
CID 62710975
4-bromo-2-[(3-methylphenyl)methylamino]benzoic acid
CID 114907249
5,6-dimethyl-3-[(3-methylphenyl)methylamino]pyridazine-4-carboxylic acid
CID 62709618
6-methyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid
CID 62710803
2-bromo-3-fluoro-4-[(3-methylphenyl)methylamino]benzoic acid
CID 107539980
2,4-difluoro-5-[(3-methylphenyl)methylamino]benzoic acid
CID 43737084
2-[(3-methylphenyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 80569053
2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871781
N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]-2-phenylacetamide
CID 113040992

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(3-methylphenyl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-[(3-methylphenyl)methylamino]pyridine-3-carboxylic acid (CID 25109943) is 6-methyl-2-[(3-methylphenyl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-[(3-methylphenyl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-[(3-methylphenyl)methylamino]pyridine-3-carboxylic acid is Cc1cccc(CNc2nc(C)ccc2C(=O)O)c1.
What is the InChIKey of 6-methyl-2-[(3-methylphenyl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is LJBYMOUFZRTPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-4-3-5-12(8-10)9-16-14-13(15(18)19)7-6-11(2)17-14/h3-8H,9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 6-methyl-2-[(3-methylphenyl)methylamino]pyridine-3-carboxylic acid?
6-methyl-2-[(3-methylphenyl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 256.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(3-methylphenyl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 25109943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).