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

C11H8F3N3O3 — CID 81340511

IUPAC4-oxo-N-(2,2,2-trifluoroethoxy)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NOCC(F)(F)F)c1cnc2ccccn2c1=O
InChIInChI=1S/C11H8F3N3O3/c12-11(13,14)6-20-16-9(18)7-5-15-8-3-1-2-4-17(8)10(7)19/h1-5H,6H2,(H,16,18)
InChIKeyGLUZAIYTMUXYEC-UHFFFAOYSA-N
MW287.20 g/mol
LogP0.92
Rot. Bonds3

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

4-oxo-N-(2,2,2-trifluoroethoxy)pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 81340511) has the molecular formula C11H8F3N3O3 and a molecular weight of 287.20 g/mol. Its IUPAC name is 4-oxo-N-(2,2,2-trifluoroethoxy)pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(2,2,2-trifluoroethoxy)pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID81340511
Molecular FormulaC11H8F3N3O3
Molecular Weight287.20 g/mol
Exact Mass287.05
IUPAC Name4-oxo-N-(2,2,2-trifluoroethoxy)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NOCC(F)(F)F)c1cnc2ccccn2c1=O
InChIInChI=1S/C11H8F3N3O3/c12-11(13,14)6-20-16-9(18)7-5-15-8-3-1-2-4-17(8)10(7)19/h1-5H,6H2,(H,16,18)
InChIKeyGLUZAIYTMUXYEC-UHFFFAOYSA-N
XLogP0.92
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(2,2,2-trifluoroethoxy)pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 4-oxo-N-(2,2,2-trifluoroethoxy)pyrido[1,2-a]pyrimidine-3-carboxamide (CID 81340511) is 4-oxo-N-(2,2,2-trifluoroethoxy)pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-(2,2,2-trifluoroethoxy)pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 4-oxo-N-(2,2,2-trifluoroethoxy)pyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NOCC(F)(F)F)c1cnc2ccccn2c1=O.
What is the InChIKey of 4-oxo-N-(2,2,2-trifluoroethoxy)pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is GLUZAIYTMUXYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O3/c12-11(13,14)6-20-16-9(18)7-5-15-8-3-1-2-4-17(8)10(7)19/h1-5H,6H2,(H,16,18).
What are the key properties of 4-oxo-N-(2,2,2-trifluoroethoxy)pyrido[1,2-a]pyrimidine-3-carboxamide?
4-oxo-N-(2,2,2-trifluoroethoxy)pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 287.20 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(2,2,2-trifluoroethoxy)pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 81340511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).