7-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide

C17H19F3N4O2 — CID 132972282

IUPAC7-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)NC3CCCN(CC(F)(F)F)C3)c(=O)n2c1
InChIInChI=1S/C17H19F3N4O2/c1-11-4-5-14-21-7-13(16(26)24(14)8-11)15(25)22-12-3-2-6-23(9-12)10-17(18,19)20/h4-5,7-8,12H,2-3,6,9-10H2,1H3,(H,22,25)
InChIKeyCNWYGOGKHSRWIL-UHFFFAOYSA-N
MW368.36 g/mol
LogP1.76
Rot. Bonds3

About 7-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide

7-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 132972282) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is 7-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID132972282
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC Name7-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)NC3CCCN(CC(F)(F)F)C3)c(=O)n2c1
InChIInChI=1S/C17H19F3N4O2/c1-11-4-5-14-21-7-13(16(26)24(14)8-11)15(25)22-12-3-2-6-23(9-12)10-17(18,19)20/h4-5,7-8,12H,2-3,6,9-10H2,1H3,(H,22,25)
InChIKeyCNWYGOGKHSRWIL-UHFFFAOYSA-N
XLogP1.76
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide (CID 132972282) is 7-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccc2ncc(C(=O)NC3CCCN(CC(F)(F)F)C3)c(=O)n2c1.
What is the InChIKey of 7-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is CNWYGOGKHSRWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-11-4-5-14-21-7-13(16(26)24(14)8-11)15(25)22-12-3-2-6-23(9-12)10-17(18,19)20/h4-5,7-8,12H,2-3,6,9-10H2,1H3,(H,22,25).
What are the key properties of 7-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide?
7-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 132972282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).