2-(2-methoxyanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

C16H13N3O3 — CID 4638153

IUPAC2-(2-methoxyanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCOc1ccccc1Nc1nc2ccccn2c(=O)c1C=O
InChIInChI=1S/C16H13N3O3/c1-22-13-7-3-2-6-12(13)17-15-11(10-20)16(21)19-9-5-4-8-14(19)18-15/h2-10,17H,1H3
InChIKeyIAJRWORJCFOEGS-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.26
Rot. Bonds4

About 2-(2-methoxyanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

2-(2-methoxyanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 4638153) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-methoxyanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID4638153
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name2-(2-methoxyanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCOc1ccccc1Nc1nc2ccccn2c(=O)c1C=O
InChIInChI=1S/C16H13N3O3/c1-22-13-7-3-2-6-12(13)17-15-11(10-20)16(21)19-9-5-4-8-14(19)18-15/h2-10,17H,1H3
InChIKeyIAJRWORJCFOEGS-UHFFFAOYSA-N
XLogP2.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(2-methoxyanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde 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 2-(2-methoxyanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 2-(2-methoxyanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 4638153) is 2-(2-methoxyanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 2-(2-methoxyanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 2-(2-methoxyanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is COc1ccccc1Nc1nc2ccccn2c(=O)c1C=O.
What is the InChIKey of 2-(2-methoxyanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is IAJRWORJCFOEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-13-7-3-2-6-12(13)17-15-11(10-20)16(21)19-9-5-4-8-14(19)18-15/h2-10,17H,1H3.
What are the key properties of 2-(2-methoxyanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
2-(2-methoxyanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 295.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 4638153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).