2-[(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-methylamino]-2-(2-methylphenyl)acetic acid

C16H15ClN2O4 — CID 167990430

IUPAC2-[(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-methylamino]-2-(2-methylphenyl)acetic acid
SMILESCc1ccccc1C(C(=O)O)N(C)C(=O)c1cc(Cl)[nH]c(=O)c1
InChIInChI=1S/C16H15ClN2O4/c1-9-5-3-4-6-11(9)14(16(22)23)19(2)15(21)10-7-12(17)18-13(20)8-10/h3-8,14H,1-2H3,(H,18,20)(H,22,23)
InChIKeyKXRGBOAKFSHKGY-UHFFFAOYSA-N
MW334.76 g/mol
LogP2.23
Rot. Bonds4

About 2-[(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-methylamino]-2-(2-methylphenyl)acetic acid

2-[(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-methylamino]-2-(2-methylphenyl)acetic acid (PubChem CID 167990430) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is 2-[(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-methylamino]-2-(2-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-[(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-methylamino]-2-(2-methylphenyl)acetic acid
PubChem CID167990430
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name2-[(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-methylamino]-2-(2-methylphenyl)acetic acid
SMILESCc1ccccc1C(C(=O)O)N(C)C(=O)c1cc(Cl)[nH]c(=O)c1
InChIInChI=1S/C16H15ClN2O4/c1-9-5-3-4-6-11(9)14(16(22)23)19(2)15(21)10-7-12(17)18-13(20)8-10/h3-8,14H,1-2H3,(H,18,20)(H,22,23)
InChIKeyKXRGBOAKFSHKGY-UHFFFAOYSA-N
XLogP2.23
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-methylamino]-2-(2-methylphenyl)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-[acetyl(methyl)amino]-2-(2-methylphenyl)acetic acid
CID 63703755
(2S)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-phenylacetic acid
CID 54255090
2-[(4-chlorobenzoyl)-methylamino]-2-phenylacetic acid
CID 12039666
2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-methylamino]propanoic acid
CID 62626705
2-chloro-2-(2-methylphenyl)acetic acid
CID 23338325
3-bromo-5-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 107952079
2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-(2-methylphenyl)acetic acid
CID 136550232
2-[4-[methyl-[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]phenyl]acetic acid
CID 146137098
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)acetamide
CID 72936130
2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid
CID 14644560
2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 63701934
2-[(6-methoxy-3-pyridinyl)methyl-methylamino]-2-(2-methylphenyl)acetic acid
CID 167971767

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-methylamino]-2-(2-methylphenyl)acetic acid?
The IUPAC name of 2-[(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-methylamino]-2-(2-methylphenyl)acetic acid (CID 167990430) is 2-[(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-methylamino]-2-(2-methylphenyl)acetic acid.
What is the SMILES notation for 2-[(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-methylamino]-2-(2-methylphenyl)acetic acid?
The canonical SMILES for 2-[(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-methylamino]-2-(2-methylphenyl)acetic acid is Cc1ccccc1C(C(=O)O)N(C)C(=O)c1cc(Cl)[nH]c(=O)c1.
What is the InChIKey of 2-[(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-methylamino]-2-(2-methylphenyl)acetic acid?
The InChIKey is KXRGBOAKFSHKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-9-5-3-4-6-11(9)14(16(22)23)19(2)15(21)10-7-12(17)18-13(20)8-10/h3-8,14H,1-2H3,(H,18,20)(H,22,23).
What are the key properties of 2-[(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-methylamino]-2-(2-methylphenyl)acetic acid?
2-[(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-methylamino]-2-(2-methylphenyl)acetic acid has a molecular weight of 334.76 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-methylamino]-2-(2-methylphenyl)acetic acid is sourced from PubChem (CID 167990430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).