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

C13H15N3O2 — CID 53015677

IUPAC2-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCNC(=O)c1c(C)nc2ccccn2c1=O
InChIInChI=1S/C13H15N3O2/c1-3-7-14-12(17)11-9(2)15-10-6-4-5-8-16(10)13(11)18/h4-6,8H,3,7H2,1-2H3,(H,14,17)
InChIKeyOGEJMGKBBSSNJX-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.14
Rot. Bonds3

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

2-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 53015677) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID53015677
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCNC(=O)c1c(C)nc2ccccn2c1=O
InChIInChI=1S/C13H15N3O2/c1-3-7-14-12(17)11-9(2)15-10-6-4-5-8-16(10)13(11)18/h4-6,8H,3,7H2,1-2H3,(H,14,17)
InChIKeyOGEJMGKBBSSNJX-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 2-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 2-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide (CID 53015677) is 2-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide is CCCNC(=O)c1c(C)nc2ccccn2c1=O.
What is the InChIKey of 2-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is OGEJMGKBBSSNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-7-14-12(17)11-9(2)15-10-6-4-5-8-16(10)13(11)18/h4-6,8H,3,7H2,1-2H3,(H,14,17).
What are the key properties of 2-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide?
2-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 2-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 53015677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).