2-[2-methyl-4-[(6-methyl-2-pyridinyl)amino]phenyl]acetic acid

C15H16N2O2 — CID 77068359

IUPAC2-[2-methyl-4-[(6-methyl-2-pyridinyl)amino]phenyl]acetic acid
SMILESCc1cccc(Nc2ccc(CC(=O)O)c(C)c2)n1
InChIInChI=1S/C15H16N2O2/c1-10-8-13(7-6-12(10)9-15(18)19)17-14-5-3-4-11(2)16-14/h3-8H,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyONBPSQVFXOCOPV-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.07
Rot. Bonds4

About 2-[2-methyl-4-[(6-methyl-2-pyridinyl)amino]phenyl]acetic acid

2-[2-methyl-4-[(6-methyl-2-pyridinyl)amino]phenyl]acetic acid (PubChem CID 77068359) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[2-methyl-4-[(6-methyl-2-pyridinyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-4-[(6-methyl-2-pyridinyl)amino]phenyl]acetic acid
PubChem CID77068359
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-[2-methyl-4-[(6-methyl-2-pyridinyl)amino]phenyl]acetic acid
SMILESCc1cccc(Nc2ccc(CC(=O)O)c(C)c2)n1
InChIInChI=1S/C15H16N2O2/c1-10-8-13(7-6-12(10)9-15(18)19)17-14-5-3-4-11(2)16-14/h3-8H,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyONBPSQVFXOCOPV-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 131847838
CID 131847838
N-(3-fluorophenyl)-6-methylpyridin-2-amine
CID 119089651
N-hydroxy-3-[4-[(6-methyl-2-pyridinyl)amino]phenyl]prop-2-enamide
CID 91388739
6-N-(3,4-dimethylphenyl)-2-N-methylpyridine-2,6-diamine
CID 80755260
6-(4-bromo-3,5-dimethylanilino)pyridine-2-carboxylic acid
CID 107575447
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
2-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 1431338
6-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]pyridin-2-amine
CID 10682283
6-N-(3,4-dimethylphenyl)-4-N-(6-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 23480767
2-(3,4-dimethylanilino)quinolin-5-ol
CID 142739435
6-N-(4-bromo-3-methylphenyl)-2-N-methylpyridine-2,6-diamine
CID 80759559
2-[3-(4-methylanilino)phenyl]acetic acid
CID 155290701

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-[(6-methyl-2-pyridinyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[2-methyl-4-[(6-methyl-2-pyridinyl)amino]phenyl]acetic acid (CID 77068359) is 2-[2-methyl-4-[(6-methyl-2-pyridinyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-methyl-4-[(6-methyl-2-pyridinyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-methyl-4-[(6-methyl-2-pyridinyl)amino]phenyl]acetic acid is Cc1cccc(Nc2ccc(CC(=O)O)c(C)c2)n1.
What is the InChIKey of 2-[2-methyl-4-[(6-methyl-2-pyridinyl)amino]phenyl]acetic acid?
The InChIKey is ONBPSQVFXOCOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-8-13(7-6-12(10)9-15(18)19)17-14-5-3-4-11(2)16-14/h3-8H,9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[2-methyl-4-[(6-methyl-2-pyridinyl)amino]phenyl]acetic acid?
2-[2-methyl-4-[(6-methyl-2-pyridinyl)amino]phenyl]acetic acid has a molecular weight of 256.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-[(6-methyl-2-pyridinyl)amino]phenyl]acetic acid is sourced from PubChem (CID 77068359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).