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

C17H14F3N3O2 — CID 108787936

IUPAC4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1(C(=O)Nc2ccccc2C(F)(F)F)CC(=O)N=C2C=CC=CN21
InChIInChI=1S/C17H14F3N3O2/c1-16(10-14(24)22-13-8-4-5-9-23(13)16)15(25)21-12-7-3-2-6-11(12)17(18,19)20/h2-9H,10H2,1H3,(H,21,25)
InChIKeyFBIVFNGWCOPKQK-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.12
Rot. Bonds2

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

4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 108787936) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID108787936
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1(C(=O)Nc2ccccc2C(F)(F)F)CC(=O)N=C2C=CC=CN21
InChIInChI=1S/C17H14F3N3O2/c1-16(10-14(24)22-13-8-4-5-9-23(13)16)15(25)21-12-7-3-2-6-11(12)17(18,19)20/h2-9H,10H2,1H3,(H,21,25)
InChIKeyFBIVFNGWCOPKQK-UHFFFAOYSA-N
XLogP3.12
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of 4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 108787936) is 4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is CC1(C(=O)Nc2ccccc2C(F)(F)F)CC(=O)N=C2C=CC=CN21.
What is the InChIKey of 4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is FBIVFNGWCOPKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-16(10-14(24)22-13-8-4-5-9-23(13)16)15(25)21-12-7-3-2-6-11(12)17(18,19)20/h2-9H,10H2,1H3,(H,21,25).
What are the key properties of 4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 349.31 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 108787936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).