N-[3-[cyclopentyl(methyl)amino]propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C18H24N4O2 — CID 131910903

IUPACN-[3-[cyclopentyl(methyl)amino]propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCN(CCCNC(=O)c1cnc2ccccn2c1=O)C1CCCC1
InChIInChI=1S/C18H24N4O2/c1-21(14-7-2-3-8-14)11-6-10-19-17(23)15-13-20-16-9-4-5-12-22(16)18(15)24/h4-5,9,12-14H,2-3,6-8,10-11H2,1H3,(H,19,23)
InChIKeyRZIHJFQPCYQBQZ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.69
Rot. Bonds6

About N-[3-[cyclopentyl(methyl)amino]propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[3-[cyclopentyl(methyl)amino]propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 131910903) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[3-[cyclopentyl(methyl)amino]propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[cyclopentyl(methyl)amino]propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID131910903
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[3-[cyclopentyl(methyl)amino]propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCN(CCCNC(=O)c1cnc2ccccn2c1=O)C1CCCC1
InChIInChI=1S/C18H24N4O2/c1-21(14-7-2-3-8-14)11-6-10-19-17(23)15-13-20-16-9-4-5-12-22(16)18(15)24/h4-5,9,12-14H,2-3,6-8,10-11H2,1H3,(H,19,23)
InChIKeyRZIHJFQPCYQBQZ-UHFFFAOYSA-N
XLogP1.69
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[cyclopentyl(methyl)amino]propyl]-4-oxopyrido[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 N-[3-[cyclopentyl(methyl)amino]propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[cyclopentyl(methyl)amino]propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 131910903) is N-[3-[cyclopentyl(methyl)amino]propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[cyclopentyl(methyl)amino]propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[cyclopentyl(methyl)amino]propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CN(CCCNC(=O)c1cnc2ccccn2c1=O)C1CCCC1.
What is the InChIKey of N-[3-[cyclopentyl(methyl)amino]propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is RZIHJFQPCYQBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-21(14-7-2-3-8-14)11-6-10-19-17(23)15-13-20-16-9-4-5-12-22(16)18(15)24/h4-5,9,12-14H,2-3,6-8,10-11H2,1H3,(H,19,23).
What are the key properties of N-[3-[cyclopentyl(methyl)amino]propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[3-[cyclopentyl(methyl)amino]propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclopentyl(methyl)amino]propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 131910903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).