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

C18H17N3O4 — CID 13292094

IUPAC9-(3-acetylanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESCC(=O)c1cccc(NC2=CCC(C)n3c2ncc(C(=O)O)c3=O)c1
InChIInChI=1S/C18H17N3O4/c1-10-6-7-15(20-13-5-3-4-12(8-13)11(2)22)16-19-9-14(18(24)25)17(23)21(10)16/h3-5,7-10,20H,6H2,1-2H3,(H,24,25)
InChIKeyLDASXDBBYZNXIP-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.56
Rot. Bonds4

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

9-(3-acetylanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 13292094) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 9-(3-acetylanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name9-(3-acetylanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID13292094
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name9-(3-acetylanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESCC(=O)c1cccc(NC2=CCC(C)n3c2ncc(C(=O)O)c3=O)c1
InChIInChI=1S/C18H17N3O4/c1-10-6-7-15(20-13-5-3-4-12(8-13)11(2)22)16-19-9-14(18(24)25)17(23)21(10)16/h3-5,7-10,20H,6H2,1-2H3,(H,24,25)
InChIKeyLDASXDBBYZNXIP-UHFFFAOYSA-N
XLogP2.56
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 9-(3-acetylanilino)-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-(3-acetylanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 9-(3-acetylanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid (CID 13292094) is 9-(3-acetylanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 9-(3-acetylanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 9-(3-acetylanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid is CC(=O)c1cccc(NC2=CCC(C)n3c2ncc(C(=O)O)c3=O)c1.
What is the InChIKey of 9-(3-acetylanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is LDASXDBBYZNXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-10-6-7-15(20-13-5-3-4-12(8-13)11(2)22)16-19-9-14(18(24)25)17(23)21(10)16/h3-5,7-10,20H,6H2,1-2H3,(H,24,25).
What are the key properties of 9-(3-acetylanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
9-(3-acetylanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid has a molecular weight of 339.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-acetylanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 13292094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).