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

C11H11N3O3 — CID 43415582

IUPACN-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCCO)c1cnc2ccccn2c1=O
InChIInChI=1S/C11H11N3O3/c15-6-4-12-10(16)8-7-13-9-3-1-2-5-14(9)11(8)17/h1-3,5,7,15H,4,6H2,(H,12,16)
InChIKeyWMXQGKIYCSPVEE-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.58
Rot. Bonds3

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

N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 43415582) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID43415582
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC NameN-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCCO)c1cnc2ccccn2c1=O
InChIInChI=1S/C11H11N3O3/c15-6-4-12-10(16)8-7-13-9-3-1-2-5-14(9)11(8)17/h1-3,5,7,15H,4,6H2,(H,12,16)
InChIKeyWMXQGKIYCSPVEE-UHFFFAOYSA-N
XLogP-0.58
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-hydroxyethyl)-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-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 43415582) is N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCCO)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is WMXQGKIYCSPVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c15-6-4-12-10(16)8-7-13-9-3-1-2-5-14(9)11(8)17/h1-3,5,7,15H,4,6H2,(H,12,16).
What are the key properties of N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 233.23 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 43415582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).