trans-(1S,3S)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

C19H25F3N2O2 — CID 51958593

IUPACtrans-(1S,3S)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1cccnc1OC1CCCC1)[C@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C19H25F3N2O2/c20-19(21,22)15-7-3-5-13(11-15)17(25)24-12-14-6-4-10-23-18(14)26-16-8-1-2-9-16/h4,6,10,13,15-16H,1-3,5,7-9,11-12H2,(H,24,25)/t13-,15-/m0/s1
InChIKeyKFPZRLHAEJZEPI-ZFWWWQNUSA-N
MW370.42 g/mol
LogP4.39
Rot. Bonds5

About trans-(1S,3S)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

trans-(1S,3S)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 51958593) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is trans-(1S,3S)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3S)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID51958593
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Nametrans-(1S,3S)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1cccnc1OC1CCCC1)[C@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C19H25F3N2O2/c20-19(21,22)15-7-3-5-13(11-15)17(25)24-12-14-6-4-10-23-18(14)26-16-8-1-2-9-16/h4,6,10,13,15-16H,1-3,5,7-9,11-12H2,(H,24,25)/t13-,15-/m0/s1
InChIKeyKFPZRLHAEJZEPI-ZFWWWQNUSA-N
XLogP4.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(1S,3S)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

tert-butyl (3R)-3-[(2-cyclopentyloxy-3-pyridinyl)methylcarbamoyl]piperidine-1-carboxylate
CID 51941848
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 55790751
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 119044376
(3R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51956462
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94026468
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 55659774
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide
CID 119847102
N-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 55659721
N-[(2-cycloheptyloxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62297718
3-bromo-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]benzamide
CID 46434206
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide
CID 47029217
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide
CID 71896675

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of trans-(1S,3S)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 51958593) is trans-(1S,3S)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1S,3S)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1S,3S)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(NCc1cccnc1OC1CCCC1)[C@H]1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of trans-(1S,3S)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is KFPZRLHAEJZEPI-ZFWWWQNUSA-N. The full InChI is InChI=1S/C19H25F3N2O2/c20-19(21,22)15-7-3-5-13(11-15)17(25)24-12-14-6-4-10-23-18(14)26-16-8-1-2-9-16/h4,6,10,13,15-16H,1-3,5,7-9,11-12H2,(H,24,25)/t13-,15-/m0/s1.
What are the key properties of trans-(1S,3S)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
trans-(1S,3S)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 51958593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).