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

C17H12F3N3O2 — CID 51337472

IUPACN-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3ccccn3c2=O)cc1C(F)(F)F
InChIInChI=1S/C17H12F3N3O2/c1-10-5-6-11(8-13(10)17(18,19)20)22-15(24)12-9-21-14-4-2-3-7-23(14)16(12)25/h2-9H,1H3,(H,22,24)
InChIKeyWYKFPAYRHKLEGR-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.27
Rot. Bonds2

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

N-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 51337472) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is N-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID51337472
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC NameN-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3ccccn3c2=O)cc1C(F)(F)F
InChIInChI=1S/C17H12F3N3O2/c1-10-5-6-11(8-13(10)17(18,19)20)22-15(24)12-9-21-14-4-2-3-7-23(14)16(12)25/h2-9H,1H3,(H,22,24)
InChIKeyWYKFPAYRHKLEGR-UHFFFAOYSA-N
XLogP3.27
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 51337472) is N-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccc(NC(=O)c2cnc3ccccn3c2=O)cc1C(F)(F)F.
What is the InChIKey of N-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is WYKFPAYRHKLEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c1-10-5-6-11(8-13(10)17(18,19)20)22-15(24)12-9-21-14-4-2-3-7-23(14)16(12)25/h2-9H,1H3,(H,22,24).
What are the key properties of N-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 347.30 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 51337472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).