N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C18H14F3N3O3 — CID 94800398

IUPACN-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1cnc2ccccn2c1=O
InChIInChI=1S/C18H14F3N3O3/c19-18(20,21)13-6-2-1-5-11(13)14(25)10-23-16(26)12-9-22-15-7-3-4-8-24(15)17(12)27/h1-9,14,25H,10H2,(H,23,26)/t14-/m1/s1
InChIKeyFYAHPVKFNKSRLS-CQSZACIVSA-N
MW377.32 g/mol
LogP2.18
Rot. Bonds4

About N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 94800398) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID94800398
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC NameN-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1cnc2ccccn2c1=O
InChIInChI=1S/C18H14F3N3O3/c19-18(20,21)13-6-2-1-5-11(13)14(25)10-23-16(26)12-9-22-15-7-3-4-8-24(15)17(12)27/h1-9,14,25H,10H2,(H,23,26)/t14-/m1/s1
InChIKeyFYAHPVKFNKSRLS-CQSZACIVSA-N
XLogP2.18
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 51094241
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51126501
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56820221
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 72046983
2-[[2-(3-Fluorophenyl)-2-hydroxyethyl]amino]pyrido[1,2-a]pyrimidin-4-one
CID 75405523
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94800399
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 94811800
N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 94811801
N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 95587109
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 95587110
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95977189
N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95977190

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 94800398) is N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is FYAHPVKFNKSRLS-CQSZACIVSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c19-18(20,21)13-6-2-1-5-11(13)14(25)10-23-16(26)12-9-22-15-7-3-4-8-24(15)17(12)27/h1-9,14,25H,10H2,(H,23,26)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 377.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 94800398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).