N-(2-hydroxyethyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide

C14H17N3O3 — CID 43573449

IUPACN-(2-hydroxyethyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)N(CCO)C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H17N3O3/c1-10(2)16(7-8-18)13(19)11-9-15-12-5-3-4-6-17(12)14(11)20/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyHATAYWHPRPDBBR-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.54
Rot. Bonds4

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

N-(2-hydroxyethyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 43573449) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID43573449
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(2-hydroxyethyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)N(CCO)C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H17N3O3/c1-10(2)16(7-8-18)13(19)11-9-15-12-5-3-4-6-17(12)14(11)20/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyHATAYWHPRPDBBR-UHFFFAOYSA-N
XLogP0.54
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-hydroxyethyl)-4-oxo-N-propan-2-ylpyrido[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-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide (CID 43573449) is N-(2-hydroxyethyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide is CC(C)N(CCO)C(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(2-hydroxyethyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is HATAYWHPRPDBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10(2)16(7-8-18)13(19)11-9-15-12-5-3-4-6-17(12)14(11)20/h3-6,9-10,18H,7-8H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide?
N-(2-hydroxyethyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 43573449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).