1-[3-chloro-4-(propan-2-ylcarbamoyl)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid

C17H17ClN2O4 — CID 170504547

IUPAC1-[3-chloro-4-(propan-2-ylcarbamoyl)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccn(-c2ccc(C(=O)NC(C)C)c(Cl)c2)c(=O)c1C(=O)O
InChIInChI=1S/C17H17ClN2O4/c1-9(2)19-15(21)12-5-4-11(8-13(12)18)20-7-6-10(3)14(16(20)22)17(23)24/h4-9H,1-3H3,(H,19,21)(H,23,24)
InChIKeyQENNSHOHKPKPFY-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.64
Rot. Bonds4

About 1-[3-chloro-4-(propan-2-ylcarbamoyl)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid

1-[3-chloro-4-(propan-2-ylcarbamoyl)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 170504547) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is 1-[3-chloro-4-(propan-2-ylcarbamoyl)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-chloro-4-(propan-2-ylcarbamoyl)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID170504547
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name1-[3-chloro-4-(propan-2-ylcarbamoyl)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccn(-c2ccc(C(=O)NC(C)C)c(Cl)c2)c(=O)c1C(=O)O
InChIInChI=1S/C17H17ClN2O4/c1-9(2)19-15(21)12-5-4-11(8-13(12)18)20-7-6-10(3)14(16(20)22)17(23)24/h4-9H,1-3H3,(H,19,21)(H,23,24)
InChIKeyQENNSHOHKPKPFY-UHFFFAOYSA-N
XLogP2.64
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(propan-2-ylcarbamoyl)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[3-chloro-4-(propan-2-ylcarbamoyl)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid (CID 170504547) is 1-[3-chloro-4-(propan-2-ylcarbamoyl)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[3-chloro-4-(propan-2-ylcarbamoyl)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[3-chloro-4-(propan-2-ylcarbamoyl)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid is Cc1ccn(-c2ccc(C(=O)NC(C)C)c(Cl)c2)c(=O)c1C(=O)O.
What is the InChIKey of 1-[3-chloro-4-(propan-2-ylcarbamoyl)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is QENNSHOHKPKPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-9(2)19-15(21)12-5-4-11(8-13(12)18)20-7-6-10(3)14(16(20)22)17(23)24/h4-9H,1-3H3,(H,19,21)(H,23,24).
What are the key properties of 1-[3-chloro-4-(propan-2-ylcarbamoyl)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
1-[3-chloro-4-(propan-2-ylcarbamoyl)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 348.79 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(propan-2-ylcarbamoyl)phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 170504547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).