2-[4-(2-amino-5-methylphenyl)-2-oxo-1-pyridinyl]acetic acid

C14H14N2O3 — CID 141371862

IUPAC2-[4-(2-amino-5-methylphenyl)-2-oxo-1-pyridinyl]acetic acid
SMILESCc1ccc(N)c(-c2ccn(CC(=O)O)c(=O)c2)c1
InChIInChI=1S/C14H14N2O3/c1-9-2-3-12(15)11(6-9)10-4-5-16(8-14(18)19)13(17)7-10/h2-7H,8,15H2,1H3,(H,18,19)
InChIKeyCEWNWJSHORLHSS-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.49
Rot. Bonds3

About 2-[4-(2-amino-5-methylphenyl)-2-oxo-1-pyridinyl]acetic acid

2-[4-(2-amino-5-methylphenyl)-2-oxo-1-pyridinyl]acetic acid (PubChem CID 141371862) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[4-(2-amino-5-methylphenyl)-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-amino-5-methylphenyl)-2-oxo-1-pyridinyl]acetic acid
PubChem CID141371862
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-[4-(2-amino-5-methylphenyl)-2-oxo-1-pyridinyl]acetic acid
SMILESCc1ccc(N)c(-c2ccn(CC(=O)O)c(=O)c2)c1
InChIInChI=1S/C14H14N2O3/c1-9-2-3-12(15)11(6-9)10-4-5-16(8-14(18)19)13(17)7-10/h2-7H,8,15H2,1H3,(H,18,19)
InChIKeyCEWNWJSHORLHSS-UHFFFAOYSA-N
XLogP1.49
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[4-(2-amino-5-methylphenyl)-2-oxo-1-pyridinyl]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

methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate;2-(4-methyl-2-oxo-1-pyridinyl)acetic acid
CID 160822702
2-[5-(2,5-dimethylphenyl)-4-methyl-2-oxo-1-pyridinyl]acetic acid
CID 176809246
2-[4-(5-fluorothiophen-2-yl)-2-oxo-1-pyridinyl]acetic acid
CID 155964958
2-[5-(2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 82120698
2-[5-(4-methylphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 82117838
2-[[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]amino]acetic acid
CID 146134067
2-[2-oxo-4-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]-1-pyridinyl]acetic acid
CID 167939443
N-(2-amino-5-chlorophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 62962839
N-(2-aminophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 62962477
methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate
CID 59562280
N-(4-aminophenyl)-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 62961589
2-[2-oxo-4-(5-propoxy-3-pyridinyl)-1-pyridinyl]acetic acid
CID 167839939

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-5-methylphenyl)-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[4-(2-amino-5-methylphenyl)-2-oxo-1-pyridinyl]acetic acid (CID 141371862) is 2-[4-(2-amino-5-methylphenyl)-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-(2-amino-5-methylphenyl)-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-(2-amino-5-methylphenyl)-2-oxo-1-pyridinyl]acetic acid is Cc1ccc(N)c(-c2ccn(CC(=O)O)c(=O)c2)c1.
What is the InChIKey of 2-[4-(2-amino-5-methylphenyl)-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is CEWNWJSHORLHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-2-3-12(15)11(6-9)10-4-5-16(8-14(18)19)13(17)7-10/h2-7H,8,15H2,1H3,(H,18,19).
What are the key properties of 2-[4-(2-amino-5-methylphenyl)-2-oxo-1-pyridinyl]acetic acid?
2-[4-(2-amino-5-methylphenyl)-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 258.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-5-methylphenyl)-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 141371862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).