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

C17H15N3O3 — CID 94612958

IUPACN-[(2S)-2-hydroxy-2-phenylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC[C@@H](O)c1ccccc1)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H15N3O3/c21-14(12-6-2-1-3-7-12)11-19-16(22)13-10-18-15-8-4-5-9-20(15)17(13)23/h1-10,14,21H,11H2,(H,19,22)/t14-/m1/s1
InChIKeyFWZFQSZTGLTDME-CQSZACIVSA-N
MW309.33 g/mol
LogP1.16
Rot. Bonds4

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

N-[(2S)-2-hydroxy-2-phenylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 94612958) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-phenylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-phenylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID94612958
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-[(2S)-2-hydroxy-2-phenylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC[C@@H](O)c1ccccc1)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H15N3O3/c21-14(12-6-2-1-3-7-12)11-19-16(22)13-10-18-15-8-4-5-9-20(15)17(13)23/h1-10,14,21H,11H2,(H,19,22)/t14-/m1/s1
InChIKeyFWZFQSZTGLTDME-CQSZACIVSA-N
XLogP1.16
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-2-hydroxy-2-phenylethyl]-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

Related Compounds

N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51126501
2-[[[2-(4-Fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60330436
2-[[[2-(4-Fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 60330439
2-[[2-(3-Fluorophenyl)-2-hydroxyethyl]amino]pyrido[1,2-a]pyrimidin-4-one
CID 75405523
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 78866672
N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94800398
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94800399
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 109956307
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 109963603
N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 109963768
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110888730
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110891745

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-phenylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-phenylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 94612958) is N-[(2S)-2-hydroxy-2-phenylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-phenylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-phenylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NC[C@@H](O)c1ccccc1)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[(2S)-2-hydroxy-2-phenylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is FWZFQSZTGLTDME-CQSZACIVSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-14(12-6-2-1-3-7-12)11-19-16(22)13-10-18-15-8-4-5-9-20(15)17(13)23/h1-10,14,21H,11H2,(H,19,22)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-phenylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(2S)-2-hydroxy-2-phenylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-phenylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 94612958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).