N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide

C14H17F3N2O — CID 142586783

IUPACN-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide
SMILESO=C(NCc1cc(C(F)(F)F)ccn1)C1CCCCC1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)11-6-7-18-12(8-11)9-19-13(20)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,19,20)
InChIKeyIOILXTGZHVLDGN-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.30
Rot. Bonds3

About N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide

N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide (PubChem CID 142586783) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide
PubChem CID142586783
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide
SMILESO=C(NCc1cc(C(F)(F)F)ccn1)C1CCCCC1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)11-6-7-18-12(8-11)9-19-13(20)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,19,20)
InChIKeyIOILXTGZHVLDGN-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid
CID 112532887
2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-5-carboxamide
CID 118378317
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
2-[[(3-aminocyclohexanecarbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324803
N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 2224325
(1S,6S,7S)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide
CID 164635537
N-[[3-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentanecarboxamide
CID 129157432
N-(quinoxalin-6-ylmethyl)cyclohexanecarboxamide
CID 110672196
N-[(6-phenylpyrimidin-4-yl)methyl]cyclopentanecarboxamide
CID 122261740
N-[(6-methylpyrimidin-4-yl)methyl]cyclobutanecarboxamide
CID 122263469
N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]cyclopentanecarboxamide
CID 46450428
2-(3,4-dichlorophenoxy)acetamide;N-[[4-(hydroxymethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide
CID 142586796

Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide (CID 142586783) is N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide is O=C(NCc1cc(C(F)(F)F)ccn1)C1CCCCC1.
What is the InChIKey of N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide?
The InChIKey is IOILXTGZHVLDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)11-6-7-18-12(8-11)9-19-13(20)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,19,20).
What are the key properties of N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide?
N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide has a molecular weight of 286.30 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 142586783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).