9-(2-carboxyanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid

C17H15N3O5 — CID 13369397

IUPAC9-(2-carboxyanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESCC1CC=C(Nc2ccccc2C(=O)O)c2ncc(C(=O)O)c(=O)n21
InChIInChI=1S/C17H15N3O5/c1-9-6-7-13(19-12-5-3-2-4-10(12)16(22)23)14-18-8-11(17(24)25)15(21)20(9)14/h2-5,7-9,19H,6H2,1H3,(H,22,23)(H,24,25)
InChIKeyGBBDGJWBUUZRLU-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.06
Rot. Bonds4

About 9-(2-carboxyanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid

9-(2-carboxyanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 13369397) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is 9-(2-carboxyanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name9-(2-carboxyanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID13369397
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Name9-(2-carboxyanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESCC1CC=C(Nc2ccccc2C(=O)O)c2ncc(C(=O)O)c(=O)n21
InChIInChI=1S/C17H15N3O5/c1-9-6-7-13(19-12-5-3-2-4-10(12)16(22)23)14-18-8-11(17(24)25)15(21)20(9)14/h2-5,7-9,19H,6H2,1H3,(H,22,23)(H,24,25)
InChIKeyGBBDGJWBUUZRLU-UHFFFAOYSA-N
XLogP2.06
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 9-(2-carboxyanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(2-carboxyanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 9-(2-carboxyanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid (CID 13369397) is 9-(2-carboxyanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 9-(2-carboxyanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 9-(2-carboxyanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid is CC1CC=C(Nc2ccccc2C(=O)O)c2ncc(C(=O)O)c(=O)n21.
What is the InChIKey of 9-(2-carboxyanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is GBBDGJWBUUZRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5/c1-9-6-7-13(19-12-5-3-2-4-10(12)16(22)23)14-18-8-11(17(24)25)15(21)20(9)14/h2-5,7-9,19H,6H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 9-(2-carboxyanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
9-(2-carboxyanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid has a molecular weight of 341.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-carboxyanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 13369397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).