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

C17H12F3N3O2 — CID 4151352

IUPAC8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)Nc3cccc(C(F)(F)F)c3)cnc2c1
InChIInChI=1S/C17H12F3N3O2/c1-10-5-6-23-14(7-10)21-9-13(16(23)25)15(24)22-12-4-2-3-11(8-12)17(18,19)20/h2-9H,1H3,(H,22,24)
InChIKeyUTABUZZKZXRCMK-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.27
Rot. Bonds2

About 8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide

8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 4151352) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID4151352
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC Name8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)Nc3cccc(C(F)(F)F)c3)cnc2c1
InChIInChI=1S/C17H12F3N3O2/c1-10-5-6-23-14(7-10)21-9-13(16(23)25)15(24)22-12-4-2-3-11(8-12)17(18,19)20/h2-9H,1H3,(H,22,24)
InChIKeyUTABUZZKZXRCMK-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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Related Compounds

2,3-dimethyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248405
8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 2800874
N-[3-chloro-2-(dimethylamino)phenyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 60558088
4-oxo-8-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 115048141
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
1-[2-(3,5-dimethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 42694876
8-methyl-N-[3-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119430115
N-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162234
N-[(1-hydroxycyclobutyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111445372
N-(2,5-dimethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878698
N-(3-carbamoylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24675352
8-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 120811999

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide (CID 4151352) is 8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccn2c(=O)c(C(=O)Nc3cccc(C(F)(F)F)c3)cnc2c1.
What is the InChIKey of 8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is UTABUZZKZXRCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c1-10-5-6-23-14(7-10)21-9-13(16(23)25)15(24)22-12-4-2-3-11(8-12)17(18,19)20/h2-9H,1H3,(H,22,24).
What are the key properties of 8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]pyrido[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 8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4151352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).