9-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide

C13H15N3O2 — CID 3079293

IUPAC9-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCNC(=O)c1cnc2c(C)cccn2c1=O
InChIInChI=1S/C13H15N3O2/c1-3-6-14-12(17)10-8-15-11-9(2)5-4-7-16(11)13(10)18/h4-5,7-8H,3,6H2,1-2H3,(H,14,17)
InChIKeyRJQQVIKXETULNN-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.14
Rot. Bonds3

About 9-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide

9-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 3079293) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 9-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name9-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID3079293
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name9-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCNC(=O)c1cnc2c(C)cccn2c1=O
InChIInChI=1S/C13H15N3O2/c1-3-6-14-12(17)10-8-15-11-9(2)5-4-7-16(11)13(10)18/h4-5,7-8H,3,6H2,1-2H3,(H,14,17)
InChIKeyRJQQVIKXETULNN-UHFFFAOYSA-N
XLogP1.14
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide 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-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 9-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide (CID 3079293) is 9-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 9-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 9-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide is CCCNC(=O)c1cnc2c(C)cccn2c1=O.
What is the InChIKey of 9-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is RJQQVIKXETULNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-6-14-12(17)10-8-15-11-9(2)5-4-7-16(11)13(10)18/h4-5,7-8H,3,6H2,1-2H3,(H,14,17).
What are the key properties of 9-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide?
9-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3079293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).