N-(4-hydroxy-2-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C14H17N3O3 — CID 66109065

IUPACN-(4-hydroxy-2-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(CCO)CNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H17N3O3/c1-10(5-7-18)8-16-13(19)11-9-15-12-4-2-3-6-17(12)14(11)20/h2-4,6,9-10,18H,5,7-8H2,1H3,(H,16,19)
InChIKeyCTEZSIJKPVCPNS-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.44
Rot. Bonds5

About N-(4-hydroxy-2-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(4-hydroxy-2-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 66109065) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID66109065
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(4-hydroxy-2-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(CCO)CNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H17N3O3/c1-10(5-7-18)8-16-13(19)11-9-15-12-4-2-3-6-17(12)14(11)20/h2-4,6,9-10,18H,5,7-8H2,1H3,(H,16,19)
InChIKeyCTEZSIJKPVCPNS-UHFFFAOYSA-N
XLogP0.44
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-hydroxy-2-methylbutyl)-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-(4-hydroxy-2-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 66109065) is N-(4-hydroxy-2-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(CCO)CNC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is CTEZSIJKPVCPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10(5-7-18)8-16-13(19)11-9-15-12-4-2-3-6-17(12)14(11)20/h2-4,6,9-10,18H,5,7-8H2,1H3,(H,16,19).
What are the key properties of N-(4-hydroxy-2-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(4-hydroxy-2-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66109065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).