N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-1-methyltriazole-4-carboxamide

C17H17F3N6O2 — CID 155218567

IUPACN-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCC(Oc3cnc(C#N)c(C(F)(F)F)c3)CC2)nn1
InChIInChI=1S/C17H17F3N6O2/c1-26-9-15(24-25-26)16(27)23-10-2-4-11(5-3-10)28-12-6-13(17(18,19)20)14(7-21)22-8-12/h6,8-11H,2-5H2,1H3,(H,23,27)
InChIKeyXNNDEKVRMQSCRJ-UHFFFAOYSA-N
MW394.36 g/mol
LogP2.22
Rot. Bonds4

About N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-1-methyltriazole-4-carboxamide

N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-1-methyltriazole-4-carboxamide (PubChem CID 155218567) has the molecular formula C17H17F3N6O2 and a molecular weight of 394.36 g/mol. Its IUPAC name is N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-1-methyltriazole-4-carboxamide
PubChem CID155218567
Molecular FormulaC17H17F3N6O2
Molecular Weight394.36 g/mol
Exact Mass394.14
IUPAC NameN-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCC(Oc3cnc(C#N)c(C(F)(F)F)c3)CC2)nn1
InChIInChI=1S/C17H17F3N6O2/c1-26-9-15(24-25-26)16(27)23-10-2-4-11(5-3-10)28-12-6-13(17(18,19)20)14(7-21)22-8-12/h6,8-11H,2-5H2,1H3,(H,23,27)
InChIKeyXNNDEKVRMQSCRJ-UHFFFAOYSA-N
XLogP2.22
TPSA105.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-2-methyltetrazole-5-carboxamide
CID 155218576
N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazine-2-carboxamide
CID 155219534
N-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-1-methyltriazole-4-carboxamide
CID 155218830
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyltriazole-4-carboxamide
CID 90634332
N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrazine-2-carboxamide
CID 155219537
N-[4-[4-cyano-3-(trifluoromethyl)phenoxy]cyclohexyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 166981032
N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrimidine-5-carboxamide
CID 155219529
N-[4-[(5-chloro-6-cyano-3-pyridinyl)oxy]cyclohexyl]-2-(methyldiazenyl)-2-methyliminoacetamide
CID 155218395
N-[4-[4-cyano-3-(trifluoromethyl)phenoxy]cyclohexyl]-2-(4-formylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 169195178
N-[4-(4-cyano-3-methylphenoxy)cyclohexyl]-3-propan-2-yl-1,2,4-triazine-6-carboxamide
CID 176985888
N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710844
1-methyl-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]triazole-4-carboxamide
CID 129416200

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-1-methyltriazole-4-carboxamide?
The IUPAC name of N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-1-methyltriazole-4-carboxamide (CID 155218567) is N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-1-methyltriazole-4-carboxamide is Cn1cc(C(=O)NC2CCC(Oc3cnc(C#N)c(C(F)(F)F)c3)CC2)nn1.
What is the InChIKey of N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-1-methyltriazole-4-carboxamide?
The InChIKey is XNNDEKVRMQSCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6O2/c1-26-9-15(24-25-26)16(27)23-10-2-4-11(5-3-10)28-12-6-13(17(18,19)20)14(7-21)22-8-12/h6,8-11H,2-5H2,1H3,(H,23,27).
What are the key properties of N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-1-methyltriazole-4-carboxamide?
N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-1-methyltriazole-4-carboxamide has a molecular weight of 394.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 155218567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).