N-(6-amino-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride

C13H17ClF3N3O — CID 119515799

IUPACN-(6-amino-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.Nc1ccc(NC(=O)C2CCCC(C(F)(F)F)C2)cn1
InChIInChI=1S/C13H16F3N3O.ClH/c14-13(15,16)9-3-1-2-8(6-9)12(20)19-10-4-5-11(17)18-7-10;/h4-5,7-9H,1-3,6H2,(H2,17,18)(H,19,20);1H
InChIKeyRDGJWUHYCMBYPB-UHFFFAOYSA-N
MW323.75 g/mol
LogP3.39
Rot. Bonds2

About N-(6-amino-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride

N-(6-amino-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119515799) has the molecular formula C13H17ClF3N3O and a molecular weight of 323.75 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119515799
Molecular FormulaC13H17ClF3N3O
Molecular Weight323.75 g/mol
Exact Mass323.10
IUPAC NameN-(6-amino-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.Nc1ccc(NC(=O)C2CCCC(C(F)(F)F)C2)cn1
InChIInChI=1S/C13H16F3N3O.ClH/c14-13(15,16)9-3-1-2-8(6-9)12(20)19-10-4-5-11(17)18-7-10;/h4-5,7-9H,1-3,6H2,(H2,17,18)(H,19,20);1H
InChIKeyRDGJWUHYCMBYPB-UHFFFAOYSA-N
XLogP3.39
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-formylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106912255
N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 55773022
N-(6-amino-3-pyridinyl)oxane-4-carboxamide;hydrochloride
CID 119514919
N-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115281171
N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115661550
2-methyl-2-[4-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]phenyl]propanoic acid
CID 119254310
N-(6-amino-3-pyridinyl)-4-methylcyclohexane-1-carboxamide
CID 81478295
N-(5-piperidin-1-yl-2-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 60516432
N-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106832051
N-(2,6-difluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103097942
N-(6-amino-3-pyridinyl)-2-cyclopentylacetamide;hydrochloride
CID 119260450
(6-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105098763

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N-(6-amino-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride (CID 119515799) is N-(6-amino-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(6-amino-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride is Cl.Nc1ccc(NC(=O)C2CCCC(C(F)(F)F)C2)cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is RDGJWUHYCMBYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O.ClH/c14-13(15,16)9-3-1-2-8(6-9)12(20)19-10-4-5-11(17)18-7-10;/h4-5,7-9H,1-3,6H2,(H2,17,18)(H,19,20);1H.
What are the key properties of N-(6-amino-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride?
N-(6-amino-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 323.75 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119515799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).