N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide

C13H15F3N2O — CID 33162899

IUPACN-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)11-7-6-9(8-17-11)12(19)18-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,18,19)
InChIKeySRDCBDZHNPHDRK-UHFFFAOYSA-N
MW272.27 g/mol
LogP3.16
Rot. Bonds2

About N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 33162899) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID33162899
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC NameN-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)11-7-6-9(8-17-11)12(19)18-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,18,19)
InChIKeySRDCBDZHNPHDRK-UHFFFAOYSA-N
XLogP3.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 33162899) is N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(NC1CCCCC1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is SRDCBDZHNPHDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-13(15,16)11-7-6-9(8-17-11)12(19)18-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,18,19).
What are the key properties of N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 272.27 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 33162899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).