N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C14H17F3N2O — CID 75415388

IUPACN-(pyridin-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1ccncc1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)12-4-2-1-3-11(12)13(20)19-9-10-5-7-18-8-6-10/h5-8,11-12H,1-4,9H2,(H,19,20)
InChIKeyYIAVXNOMLCJAHQ-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.07
Rot. Bonds3

About N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 75415388) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID75415388
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-(pyridin-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1ccncc1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)12-4-2-1-3-11(12)13(20)19-9-10-5-7-18-8-6-10/h5-8,11-12H,1-4,9H2,(H,19,20)
InChIKeyYIAVXNOMLCJAHQ-UHFFFAOYSA-N
XLogP3.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 64824475
4-[4-[[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]methyl]phenoxy]butanoic acid
CID 119247135
2-amino-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 82237334
N-[(2-bromophenyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583720
trans-(1S,2S)-N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 164643035
cis-(1S,2R)-2-(pyridin-4-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 676939
N-[(3-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115598109
(3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96568235
1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148415
cis-(1S,2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 94035247
4-N-cyclohexyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146108
N-[2-[[(1R,2R)-2-(trifluoromethyl)cyclohexanecarbonyl]amino]ethyl]-1H-pyrazole-5-carboxamide
CID 99782382

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 75415388) is N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(NCc1ccncc1)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is YIAVXNOMLCJAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)12-4-2-1-3-11(12)13(20)19-9-10-5-7-18-8-6-10/h5-8,11-12H,1-4,9H2,(H,19,20).
What are the key properties of N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 286.30 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 75415388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).