N-[2-(hydroxymethyl)cyclohexyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C14H17F3N2O2 — CID 103860508

IUPACN-[2-(hydroxymethyl)cyclohexyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NC1CCCCC1CO)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)10-5-6-12(18-7-10)13(21)19-11-4-2-1-3-9(11)8-20/h5-7,9,11,20H,1-4,8H2,(H,19,21)
InChIKeyWFFDLOAAIGJOEZ-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.38
Rot. Bonds3

About N-[2-(hydroxymethyl)cyclohexyl]-5-(trifluoromethyl)pyridine-2-carboxamide

N-[2-(hydroxymethyl)cyclohexyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 103860508) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclohexyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclohexyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID103860508
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-[2-(hydroxymethyl)cyclohexyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NC1CCCCC1CO)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)10-5-6-12(18-7-10)13(21)19-11-4-2-1-3-9(11)8-20/h5-7,9,11,20H,1-4,8H2,(H,19,21)
InChIKeyWFFDLOAAIGJOEZ-UHFFFAOYSA-N
XLogP2.38
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocycloheptyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909182
N-(3-hydroxycyclobutyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909152
N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 106367297
cis-(1R,3S)-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 106321029
N-[2-(hydroxymethyl)cyclohexyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 111840921
N-[2-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)benzamide
CID 103751525
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
N-(azetidin-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115737184
4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide
CID 103798607
4-(chloromethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106359879
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246
N-[2-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 113259272

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 103860508) is N-[2-(hydroxymethyl)cyclohexyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclohexyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclohexyl]-5-(trifluoromethyl)pyridine-2-carboxamide is O=C(NC1CCCCC1CO)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[2-(hydroxymethyl)cyclohexyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is WFFDLOAAIGJOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)10-5-6-12(18-7-10)13(21)19-11-4-2-1-3-9(11)8-20/h5-7,9,11,20H,1-4,8H2,(H,19,21).
What are the key properties of N-[2-(hydroxymethyl)cyclohexyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-(hydroxymethyl)cyclohexyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclohexyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 103860508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).