N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-2-methyltetrazole-5-carboxamide

C16H16F3N7O2 — CID 155218576

IUPACN-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-2-methyltetrazole-5-carboxamide
SMILESCn1nnc(C(=O)NC2CCC(Oc3cnc(C#N)c(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C16H16F3N7O2/c1-26-24-14(23-25-26)15(27)22-9-2-4-10(5-3-9)28-11-6-12(16(17,18)19)13(7-20)21-8-11/h6,8-10H,2-5H2,1H3,(H,22,27)
InChIKeyMJEBTDBWCQFMQJ-UHFFFAOYSA-N
MW395.35 g/mol
LogP1.62
Rot. Bonds4

About N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-2-methyltetrazole-5-carboxamide

N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-2-methyltetrazole-5-carboxamide (PubChem CID 155218576) has the molecular formula C16H16F3N7O2 and a molecular weight of 395.35 g/mol. Its IUPAC name is N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-2-methyltetrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-2-methyltetrazole-5-carboxamide
PubChem CID155218576
Molecular FormulaC16H16F3N7O2
Molecular Weight395.35 g/mol
Exact Mass395.13
IUPAC NameN-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-2-methyltetrazole-5-carboxamide
SMILESCn1nnc(C(=O)NC2CCC(Oc3cnc(C#N)c(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C16H16F3N7O2/c1-26-24-14(23-25-26)15(27)22-9-2-4-10(5-3-9)28-11-6-12(16(17,18)19)13(7-20)21-8-11/h6,8-10H,2-5H2,1H3,(H,22,27)
InChIKeyMJEBTDBWCQFMQJ-UHFFFAOYSA-N
XLogP1.62
TPSA118.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-1-methyltriazole-4-carboxamide
CID 155218567
N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazine-2-carboxamide
CID 155219534
N-[4-[4-cyano-3-(trifluoromethyl)phenoxy]cyclohexyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 166981032
N-[4-[4-cyano-3-(trifluoromethyl)phenoxy]cyclohexyl]-2-(4-formylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 169195178
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-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrazine-2-carboxamide
CID 155219537
5-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-3-(trifluoromethyl)pyridine-2-carbonitrile;dihydrochloride
CID 170163720
N-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-1-methyltriazole-4-carboxamide
CID 155218830
5-bromo-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrimidine-2-carboxamide
CID 155212972
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzamide
CID 91626145
6-tert-butyl-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyridine-3-carboxamide
CID 176795444

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-2-methyltetrazole-5-carboxamide?
The IUPAC name of N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-2-methyltetrazole-5-carboxamide (CID 155218576) is N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-2-methyltetrazole-5-carboxamide.
What is the SMILES notation for N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-2-methyltetrazole-5-carboxamide?
The canonical SMILES for N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-2-methyltetrazole-5-carboxamide is Cn1nnc(C(=O)NC2CCC(Oc3cnc(C#N)c(C(F)(F)F)c3)CC2)n1.
What is the InChIKey of N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-2-methyltetrazole-5-carboxamide?
The InChIKey is MJEBTDBWCQFMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N7O2/c1-26-24-14(23-25-26)15(27)22-9-2-4-10(5-3-9)28-11-6-12(16(17,18)19)13(7-20)21-8-11/h6,8-10H,2-5H2,1H3,(H,22,27).
What are the key properties of N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-2-methyltetrazole-5-carboxamide?
N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-2-methyltetrazole-5-carboxamide has a molecular weight of 395.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-2-methyltetrazole-5-carboxamide is sourced from PubChem (CID 155218576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).