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'}

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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).