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

C12H10F3N3O2 — CID 131901186

IUPAC4-oxo-N-(1,1,1-trifluoropropan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1cnc2ccccn2c1=O)C(F)(F)F
InChIInChI=1S/C12H10F3N3O2/c1-7(12(13,14)15)17-10(19)8-6-16-9-4-2-3-5-18(9)11(8)20/h2-7H,1H3,(H,17,19)
InChIKeyYXGCSMSPDRXLLW-UHFFFAOYSA-N
MW285.22 g/mol
LogP1.38
Rot. Bonds2

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

4-oxo-N-(1,1,1-trifluoropropan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 131901186) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 4-oxo-N-(1,1,1-trifluoropropan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(1,1,1-trifluoropropan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID131901186
Molecular FormulaC12H10F3N3O2
Molecular Weight285.22 g/mol
Exact Mass285.07
IUPAC Name4-oxo-N-(1,1,1-trifluoropropan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1cnc2ccccn2c1=O)C(F)(F)F
InChIInChI=1S/C12H10F3N3O2/c1-7(12(13,14)15)17-10(19)8-6-16-9-4-2-3-5-18(9)11(8)20/h2-7H,1H3,(H,17,19)
InChIKeyYXGCSMSPDRXLLW-UHFFFAOYSA-N
XLogP1.38
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 9-methyl-4-oxo-N-propyl-
CID 3079293
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-cyclopentyl-9-methyl-4-oxo-
CID 3079303
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N,6-dimethyl-4-oxo-
CID 3079272
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-4-oxo-N-propyl-
CID 3079273
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-N-(1-methylethyl)-4-oxo-
CID 3079274
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-butyl-6-methyl-4-oxo-
CID 3079275
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(1,1-dimethylethyl)-6-methyl-4-oxo-
CID 3079276
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-4-oxo-N-pentyl-
CID 3079277
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(2,2-dimethylpropyl)-6-methyl-4-oxo-
CID 3079278
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-hexyl-6-methyl-4-oxo-
CID 3079279
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(1,1-dimethylpropyl)-6-methyl-4-oxo-
CID 3079282
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-cyclopropyl-6-methyl-4-oxo-
CID 3079283

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(1,1,1-trifluoropropan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 4-oxo-N-(1,1,1-trifluoropropan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide (CID 131901186) is 4-oxo-N-(1,1,1-trifluoropropan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-(1,1,1-trifluoropropan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 4-oxo-N-(1,1,1-trifluoropropan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide is CC(NC(=O)c1cnc2ccccn2c1=O)C(F)(F)F.
What is the InChIKey of 4-oxo-N-(1,1,1-trifluoropropan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is YXGCSMSPDRXLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c1-7(12(13,14)15)17-10(19)8-6-16-9-4-2-3-5-18(9)11(8)20/h2-7H,1H3,(H,17,19).
What are the key properties of 4-oxo-N-(1,1,1-trifluoropropan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide?
4-oxo-N-(1,1,1-trifluoropropan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 285.22 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(1,1,1-trifluoropropan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 131901186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).