2-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide

C19H20F3N3O2 — CID 155953730

IUPAC2-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(CN1CCCC1)c1ccccc1)c1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)14-10-15(17(26)23-11-14)18(27)24-16(12-25-8-4-5-9-25)13-6-2-1-3-7-13/h1-3,6-7,10-11,16H,4-5,8-9,12H2,(H,23,26)(H,24,27)
InChIKeyOYXNEKXXROIDQA-UHFFFAOYSA-N
MW379.38 g/mol
LogP2.96
Rot. Bonds5

About 2-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide

2-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155953730) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 2-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155953730
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name2-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(CN1CCCC1)c1ccccc1)c1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)14-10-15(17(26)23-11-14)18(27)24-16(12-25-8-4-5-9-25)13-6-2-1-3-7-13/h1-3,6-7,10-11,16H,4-5,8-9,12H2,(H,23,26)(H,24,27)
InChIKeyOYXNEKXXROIDQA-UHFFFAOYSA-N
XLogP2.96
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 57190770
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CID 72869433
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1S)-1-phenyl-2-piperidin-1-ylethyl]thiourea
CID 102260541
1-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 66685345
2-chloro-N-[(1S)-2-(2-methylpyrrolidin-1-yl)-1-phenylethyl]-5-(trifluoromethyl)benzamide
CID 24757698
1-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride
CID 56648017
5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide
CID 95595921
2,2-bis(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide
CID 57090261
1-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclohexane-1-carboxamide
CID 66692251
2-fluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149743
2,2-dimethyl-N-[1-oxo-1-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propan-2-yl]propanamide
CID 134050112
N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96581160

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155953730) is 2-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC(CN1CCCC1)c1ccccc1)c1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 2-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is OYXNEKXXROIDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c20-19(21,22)14-10-15(17(26)23-11-14)18(27)24-16(12-25-8-4-5-9-25)13-6-2-1-3-7-13/h1-3,6-7,10-11,16H,4-5,8-9,12H2,(H,23,26)(H,24,27).
What are the key properties of 2-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 379.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155953730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).