1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid

C15H13ClN2O4 — CID 82107996

IUPAC1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
SMILESCc1cc(Cl)ccc1NC(=O)Cn1cccc(C(=O)O)c1=O
InChIInChI=1S/C15H13ClN2O4/c1-9-7-10(16)4-5-12(9)17-13(19)8-18-6-2-3-11(14(18)20)15(21)22/h2-7H,8H2,1H3,(H,17,19)(H,21,22)
InChIKeyAHWOMJVQJXVSCV-UHFFFAOYSA-N
MW320.73 g/mol
LogP2.15
Rot. Bonds4

About 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid

1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid (PubChem CID 82107996) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
PubChem CID82107996
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
SMILESCc1cc(Cl)ccc1NC(=O)Cn1cccc(C(=O)O)c1=O
InChIInChI=1S/C15H13ClN2O4/c1-9-7-10(16)4-5-12(9)17-13(19)8-18-6-2-3-11(14(18)20)15(21)22/h2-7H,8H2,1H3,(H,17,19)(H,21,22)
InChIKeyAHWOMJVQJXVSCV-UHFFFAOYSA-N
XLogP2.15
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chloro-2-methylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid
CID 82108119
1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 82107998
N-(2-amino-4-chlorophenyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 63172766
1-[2-(3,5-dichloroanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 82107997
N-(4-chloro-2-methylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 3475689
1-[2-(3-ethoxycarbonylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 82107940
N-(4-chloro-2-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 110429967
1-[2-(4-ethylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 82107975
N-(4-chloro-2-methylphenyl)-2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 84571672
N-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 86930614
N-(4-chloro-2-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7828841
methyl 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]indole-3-carboxylate
CID 34232696

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid (CID 82107996) is 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid is Cc1cc(Cl)ccc1NC(=O)Cn1cccc(C(=O)O)c1=O.
What is the InChIKey of 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is AHWOMJVQJXVSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c1-9-7-10(16)4-5-12(9)17-13(19)8-18-6-2-3-11(14(18)20)15(21)22/h2-7H,8H2,1H3,(H,17,19)(H,21,22).
What are the key properties of 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 320.73 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82107996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).