N-[3-(hydroxymethyl)pentan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C15H19N3O3 — CID 62519774

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H19N3O3/c1-3-15(4-2,10-19)17-13(20)11-9-16-12-7-5-6-8-18(12)14(11)21/h5-9,19H,3-4,10H2,1-2H3,(H,17,20)
InChIKeyCKFNRKICGJHYPZ-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.98
Rot. Bonds5

About N-[3-(hydroxymethyl)pentan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[3-(hydroxymethyl)pentan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 62519774) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID62519774
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H19N3O3/c1-3-15(4-2,10-19)17-13(20)11-9-16-12-7-5-6-8-18(12)14(11)21/h5-9,19H,3-4,10H2,1-2H3,(H,17,20)
InChIKeyCKFNRKICGJHYPZ-UHFFFAOYSA-N
XLogP0.98
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(hydroxymethyl)pentan-3-yl]-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-(hydroxymethyl)pentan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 62519774) is N-[3-(hydroxymethyl)pentan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCC(CC)(CO)NC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is CKFNRKICGJHYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-15(4-2,10-19)17-13(20)11-9-16-12-7-5-6-8-18(12)14(11)21/h5-9,19H,3-4,10H2,1-2H3,(H,17,20).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[3-(hydroxymethyl)pentan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 62519774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).