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

C15H16N2O2 — CID 113482465

IUPAC2-[2-[[(2-methyl-4-pyridinyl)amino]methyl]phenyl]acetic acid
SMILESCc1cc(NCc2ccccc2CC(=O)O)ccn1
InChIInChI=1S/C15H16N2O2/c1-11-8-14(6-7-16-11)17-10-13-5-3-2-4-12(13)9-15(18)19/h2-8H,9-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyJKUNIKYNPHRDRJ-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.63
Rot. Bonds5

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

2-[2-[[(2-methyl-4-pyridinyl)amino]methyl]phenyl]acetic acid (PubChem CID 113482465) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[2-[[(2-methyl-4-pyridinyl)amino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[(2-methyl-4-pyridinyl)amino]methyl]phenyl]acetic acid
PubChem CID113482465
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-[2-[[(2-methyl-4-pyridinyl)amino]methyl]phenyl]acetic acid
SMILESCc1cc(NCc2ccccc2CC(=O)O)ccn1
InChIInChI=1S/C15H16N2O2/c1-11-8-14(6-7-16-11)17-10-13-5-3-2-4-12(13)9-15(18)19/h2-8H,9-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyJKUNIKYNPHRDRJ-UHFFFAOYSA-N
XLogP2.63
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-[[(2-methyl-4-pyridinyl)amino]methyl]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(3-methylanilino)methyl]phenyl]acetic acid
CID 115461361
2-[2-[(4-fluoro-3-methylanilino)methyl]phenyl]acetic acid
CID 115461942
N-[(3-ethyl-2-pyridinyl)methyl]-2-methylpyridin-4-amine
CID 113482648
2-[2-[(4-bromo-3,5-dimethylanilino)methyl]phenyl]acetic acid
CID 107573710
2-[2-[(3-fluoro-5-methylanilino)methyl]phenyl]acetic acid
CID 115462142
2-[2-[(3-fluoroanilino)methyl]phenyl]acetic acid
CID 115461455
4-[(2-ethylphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 64695920
2-(2-methoxyphenyl)-N-(2-methyl-4-pyridinyl)acetamide
CID 110756856
N-(2-methyl-4-pyridinyl)-3-oxo-3-phenylpropanamide
CID 110463363
4-[(2-hydroxyphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 114332705
2-[2-[(pyrazin-2-ylamino)methyl]phenyl]acetic acid
CID 81317834
N-(2-methyl-4-pyridinyl)-2-phenoxyacetamide
CID 110756814

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2-methyl-4-pyridinyl)amino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[(2-methyl-4-pyridinyl)amino]methyl]phenyl]acetic acid (CID 113482465) is 2-[2-[[(2-methyl-4-pyridinyl)amino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[(2-methyl-4-pyridinyl)amino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[(2-methyl-4-pyridinyl)amino]methyl]phenyl]acetic acid is Cc1cc(NCc2ccccc2CC(=O)O)ccn1.
What is the InChIKey of 2-[2-[[(2-methyl-4-pyridinyl)amino]methyl]phenyl]acetic acid?
The InChIKey is JKUNIKYNPHRDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-8-14(6-7-16-11)17-10-13-5-3-2-4-12(13)9-15(18)19/h2-8H,9-10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[2-[[(2-methyl-4-pyridinyl)amino]methyl]phenyl]acetic acid?
2-[2-[[(2-methyl-4-pyridinyl)amino]methyl]phenyl]acetic acid has a molecular weight of 256.31 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2-methyl-4-pyridinyl)amino]methyl]phenyl]acetic acid is sourced from PubChem (CID 113482465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).