9-methyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide

C16H20N4O2 — CID 46364468

IUPAC9-methyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NCCN3CCCC3)cnc12
InChIInChI=1S/C16H20N4O2/c1-12-5-4-9-20-14(12)18-11-13(16(20)22)15(21)17-6-10-19-7-2-3-8-19/h4-5,9,11H,2-3,6-8,10H2,1H3,(H,17,21)
InChIKeyFTASYMJDPGFMKW-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.83
Rot. Bonds4

About 9-methyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide

9-methyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 46364468) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 9-methyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name9-methyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID46364468
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name9-methyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NCCN3CCCC3)cnc12
InChIInChI=1S/C16H20N4O2/c1-12-5-4-9-20-14(12)18-11-13(16(20)22)15(21)17-6-10-19-7-2-3-8-19/h4-5,9,11H,2-3,6-8,10H2,1H3,(H,17,21)
InChIKeyFTASYMJDPGFMKW-UHFFFAOYSA-N
XLogP0.83
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-methyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[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-(2-pyrrolidin-1-ylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 9-methyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide (CID 46364468) is 9-methyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 9-methyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 9-methyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccn2c(=O)c(C(=O)NCCN3CCCC3)cnc12.
What is the InChIKey of 9-methyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is FTASYMJDPGFMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-5-4-9-20-14(12)18-11-13(16(20)22)15(21)17-6-10-19-7-2-3-8-19/h4-5,9,11H,2-3,6-8,10H2,1H3,(H,17,21).
What are the key properties of 9-methyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
9-methyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46364468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).