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

C16H10F3N3O2 — CID 4148329

IUPAC4-oxo-N-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cnc2ccccn2c1=O
InChIInChI=1S/C16H10F3N3O2/c17-16(18,19)10-4-6-11(7-5-10)21-14(23)12-9-20-13-3-1-2-8-22(13)15(12)24/h1-9H,(H,21,23)
InChIKeyCETUTXSBQXDZCU-UHFFFAOYSA-N
MW333.27 g/mol
LogP2.97
Rot. Bonds2

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

4-oxo-N-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 4148329) has the molecular formula C16H10F3N3O2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 4-oxo-N-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID4148329
Molecular FormulaC16H10F3N3O2
Molecular Weight333.27 g/mol
Exact Mass333.07
IUPAC Name4-oxo-N-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cnc2ccccn2c1=O
InChIInChI=1S/C16H10F3N3O2/c17-16(18,19)10-4-6-11(7-5-10)21-14(23)12-9-20-13-3-1-2-8-22(13)15(12)24/h1-9H,(H,21,23)
InChIKeyCETUTXSBQXDZCU-UHFFFAOYSA-N
XLogP2.97
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-oxo-N-[4-(trifluoromethyl)phenyl]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

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 4-oxo-N-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide (CID 4148329) is 4-oxo-N-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 4-oxo-N-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc2ccccn2c1=O.
What is the InChIKey of 4-oxo-N-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is CETUTXSBQXDZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O2/c17-16(18,19)10-4-6-11(7-5-10)21-14(23)12-9-20-13-3-1-2-8-22(13)15(12)24/h1-9H,(H,21,23).
What are the key properties of 4-oxo-N-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
4-oxo-N-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 333.27 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4148329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).