5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide

C18H22F3N3O2 — CID 55641669

IUPAC5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCC1C(F)(F)F)C1CC(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C18H22F3N3O2/c19-18(20,21)14-6-1-2-7-15(14)23-17(26)12-9-16(25)24(10-12)11-13-5-3-4-8-22-13/h3-5,8,12,14-15H,1-2,6-7,9-11H2,(H,23,26)
InChIKeySVTPYHMXCXEBSO-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.67
Rot. Bonds4

About 5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide

5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide (PubChem CID 55641669) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is 5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
PubChem CID55641669
Molecular FormulaC18H22F3N3O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC Name5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCC1C(F)(F)F)C1CC(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C18H22F3N3O2/c19-18(20,21)14-6-1-2-7-15(14)23-17(26)12-9-16(25)24(10-12)11-13-5-3-4-8-22-13/h3-5,8,12,14-15H,1-2,6-7,9-11H2,(H,23,26)
InChIKeySVTPYHMXCXEBSO-UHFFFAOYSA-N
XLogP2.67
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-N-[4-(piperidine-1-carbonyl)cyclohexyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 169418251
(3S)-N-(2-methylpentan-2-yl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94356863
(3R)-5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 94125432
4-[[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 119136589
(3S)-5-oxo-N-[(1-phenylcyclopropyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 38825464
(3S)-N-(furan-2-ylmethyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94021658
(3R)-1-benzyl-N-[(1S,2S)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide
CID 51671621
(4R)-4-[[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid
CID 125150447
(4S)-4-[[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid
CID 125150445
5-oxo-1-(pyridin-2-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-3-carboxamide
CID 56703795
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 46172075
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55683678

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide (CID 55641669) is 5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide is O=C(NC1CCCCC1C(F)(F)F)C1CC(=O)N(Cc2ccccn2)C1.
What is the InChIKey of 5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide?
The InChIKey is SVTPYHMXCXEBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O2/c19-18(20,21)14-6-1-2-7-15(14)23-17(26)12-9-16(25)24(10-12)11-13-5-3-4-8-22-13/h3-5,8,12,14-15H,1-2,6-7,9-11H2,(H,23,26).
What are the key properties of 5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide?
5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55641669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).