4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide

C12H10F3N3O3 — CID 103723227

IUPAC4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1cnc2ccccn2c1=O
InChIInChI=1S/C12H10F3N3O3/c13-12(14,15)8(19)6-17-10(20)7-5-16-9-3-1-2-4-18(9)11(7)21/h1-5,8,19H,6H2,(H,17,20)
InChIKeyUIRRAULSYDLKMZ-UHFFFAOYSA-N
MW301.22 g/mol
LogP0.35
Rot. Bonds3

About 4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide

4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 103723227) has the molecular formula C12H10F3N3O3 and a molecular weight of 301.22 g/mol. Its IUPAC name is 4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID103723227
Molecular FormulaC12H10F3N3O3
Molecular Weight301.22 g/mol
Exact Mass301.07
IUPAC Name4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1cnc2ccccn2c1=O
InChIInChI=1S/C12H10F3N3O3/c13-12(14,15)8(19)6-17-10(20)7-5-16-9-3-1-2-4-18(9)11(7)21/h1-5,8,19H,6H2,(H,17,20)
InChIKeyUIRRAULSYDLKMZ-UHFFFAOYSA-N
XLogP0.35
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[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

2-hydroxy-N-(2-hydroxyethyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681038
2-hydroxy-N-(2-hydroxyethyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680951
2-hydroxy-N-(2-hydroxyethyl)-8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680994
2-hydroxy-N-[(2S)-2-hydroxypropyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136814052
4-oxo-N-(2,2,2-trifluoroethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 45804485
4-oxo-N-(2,2,2-trifluoroethoxy)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 81340511
N-(3,3-difluoro-2-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 103769671
N-(2,2-difluoro-3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 104858093
2-[[(3,3,3-Trifluoro-2-hydroxypropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 105644753
2-[[(3,3-Difluoro-2-hydroxypropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 105645135
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 107482606
N-(3-amino-2,2-difluoropropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 120408342

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide (CID 103723227) is 4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCC(O)C(F)(F)F)c1cnc2ccccn2c1=O.
What is the InChIKey of 4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is UIRRAULSYDLKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O3/c13-12(14,15)8(19)6-17-10(20)7-5-16-9-3-1-2-4-18(9)11(7)21/h1-5,8,19H,6H2,(H,17,20).
What are the key properties of 4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 301.22 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 103723227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).