2-(benzylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

C17H15N3O2 — CID 910902

IUPAC2-(benzylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCc1cccn2c(=O)c(C=O)c(NCc3ccccc3)nc12
InChIInChI=1S/C17H15N3O2/c1-12-6-5-9-20-16(12)19-15(14(11-21)17(20)22)18-10-13-7-3-2-4-8-13/h2-9,11,18H,10H2,1H3
InChIKeyMAWKGRCVRLWSRR-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.43
Rot. Bonds4

About 2-(benzylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

2-(benzylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 910902) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-(benzylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name2-(benzylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID910902
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-(benzylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCc1cccn2c(=O)c(C=O)c(NCc3ccccc3)nc12
InChIInChI=1S/C17H15N3O2/c1-12-6-5-9-20-16(12)19-15(14(11-21)17(20)22)18-10-13-7-3-2-4-8-13/h2-9,11,18H,10H2,1H3
InChIKeyMAWKGRCVRLWSRR-UHFFFAOYSA-N
XLogP2.43
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(benzylamino)-9-methyl-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-(benzylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 2-(benzylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 910902) is 2-(benzylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 2-(benzylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 2-(benzylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is Cc1cccn2c(=O)c(C=O)c(NCc3ccccc3)nc12.
What is the InChIKey of 2-(benzylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is MAWKGRCVRLWSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-12-6-5-9-20-16(12)19-15(14(11-21)17(20)22)18-10-13-7-3-2-4-8-13/h2-9,11,18H,10H2,1H3.
What are the key properties of 2-(benzylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
2-(benzylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 293.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 910902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).