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

C19H23F3N4O2 — CID 99792545

IUPAC7-methyl-4-oxo-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)N[C@@H](C)C3CCN(CC(F)(F)F)CC3)c(=O)n2c1
InChIInChI=1S/C19H23F3N4O2/c1-12-3-4-16-23-9-15(18(28)26(16)10-12)17(27)24-13(2)14-5-7-25(8-6-14)11-19(20,21)22/h3-4,9-10,13-14H,5-8,11H2,1-2H3,(H,24,27)/t13-/m0/s1
InChIKeyKQGAZDQBGIXEIT-ZDUSSCGKSA-N
MW396.41 g/mol
LogP2.40
Rot. Bonds4

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

7-methyl-4-oxo-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 99792545) has the molecular formula C19H23F3N4O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is 7-methyl-4-oxo-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-methyl-4-oxo-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID99792545
Molecular FormulaC19H23F3N4O2
Molecular Weight396.41 g/mol
Exact Mass396.18
IUPAC Name7-methyl-4-oxo-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)N[C@@H](C)C3CCN(CC(F)(F)F)CC3)c(=O)n2c1
InChIInChI=1S/C19H23F3N4O2/c1-12-3-4-16-23-9-15(18(28)26(16)10-12)17(27)24-13(2)14-5-7-25(8-6-14)11-19(20,21)22/h3-4,9-10,13-14H,5-8,11H2,1-2H3,(H,24,27)/t13-/m0/s1
InChIKeyKQGAZDQBGIXEIT-ZDUSSCGKSA-N
XLogP2.40
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-cyclopentyl-7-methyl-4-oxo-
CID 3079301
11-methyl-2-oxo-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide
CID 4069995
2-oxo-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide
CID 4148423
14-methyl-2-oxo-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide
CID 4251243
4-oxo-N-[3-(trifluoromethyl)cyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 45868927
3-[4-(Difluoromethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 136515754
9-[(1R)-1-aminoethyl]-2-(4,4-difluoropiperidin-1-yl)-3,7-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 169154765
9-(1-Aminoethyl)-2-(4,4-difluoropiperidin-1-yl)-3,7-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 169764612
2-[1-amino-3-(4,4-difluoropiperidin-1-yl)-3-oxoprop-1-en-2-yl]-4-piperidin-4-yl-1H-pyrimidin-6-one
CID 173814735
3-(6,9-Diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 176681653
4-oxo-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 93534867
4-oxo-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 93534868

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-oxo-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-methyl-4-oxo-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide (CID 99792545) is 7-methyl-4-oxo-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-methyl-4-oxo-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-methyl-4-oxo-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccc2ncc(C(=O)N[C@@H](C)C3CCN(CC(F)(F)F)CC3)c(=O)n2c1.
What is the InChIKey of 7-methyl-4-oxo-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is KQGAZDQBGIXEIT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23F3N4O2/c1-12-3-4-16-23-9-15(18(28)26(16)10-12)17(27)24-13(2)14-5-7-25(8-6-14)11-19(20,21)22/h3-4,9-10,13-14H,5-8,11H2,1-2H3,(H,24,27)/t13-/m0/s1.
What are the key properties of 7-methyl-4-oxo-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
7-methyl-4-oxo-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 396.41 g/mol, XLogP of 2.40, 4 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-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 99792545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).