N-(5-methyltetrazol-5-yl)-4-[1-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexane-1-carboxamide

C24H25F3N6O — CID 89463604

IUPACN-(5-methyltetrazol-5-yl)-4-[1-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexane-1-carboxamide
SMILESCC(=C1CCC(C(=O)NC2(C)N=NN=N2)CC1)c1cccc(Cc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C24H25F3N6O/c1-15(17-6-8-18(9-7-17)22(34)29-23(2)30-32-33-31-23)19-5-3-4-16(12-19)13-21-11-10-20(14-28-21)24(25,26)27/h3-5,10-12,14,18H,6-9,13H2,1-2H3,(H,29,34)/b17-15-
InChIKeyFZQNAQMAVQVDLV-ICFOKQHNSA-N
MW470.50 g/mol
LogP6.28
Rot. Bonds5

About N-(5-methyltetrazol-5-yl)-4-[1-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexane-1-carboxamide

N-(5-methyltetrazol-5-yl)-4-[1-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexane-1-carboxamide (PubChem CID 89463604) has the molecular formula C24H25F3N6O and a molecular weight of 470.50 g/mol. Its IUPAC name is N-(5-methyltetrazol-5-yl)-4-[1-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyltetrazol-5-yl)-4-[1-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexane-1-carboxamide
PubChem CID89463604
Molecular FormulaC24H25F3N6O
Molecular Weight470.50 g/mol
Exact Mass470.20
IUPAC NameN-(5-methyltetrazol-5-yl)-4-[1-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexane-1-carboxamide
SMILESCC(=C1CCC(C(=O)NC2(C)N=NN=N2)CC1)c1cccc(Cc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C24H25F3N6O/c1-15(17-6-8-18(9-7-17)22(34)29-23(2)30-32-33-31-23)19-5-3-4-16(12-19)13-21-11-10-20(14-28-21)24(25,26)27/h3-5,10-12,14,18H,6-9,13H2,1-2H3,(H,29,34)/b17-15-
InChIKeyFZQNAQMAVQVDLV-ICFOKQHNSA-N
XLogP6.28
TPSA91.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.50
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyltetrazol-5-yl)-4-[1-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexane-1-carboxamide?
The IUPAC name of N-(5-methyltetrazol-5-yl)-4-[1-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexane-1-carboxamide (CID 89463604) is N-(5-methyltetrazol-5-yl)-4-[1-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-methyltetrazol-5-yl)-4-[1-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexane-1-carboxamide?
The canonical SMILES for N-(5-methyltetrazol-5-yl)-4-[1-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexane-1-carboxamide is CC(=C1CCC(C(=O)NC2(C)N=NN=N2)CC1)c1cccc(Cc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of N-(5-methyltetrazol-5-yl)-4-[1-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexane-1-carboxamide?
The InChIKey is FZQNAQMAVQVDLV-ICFOKQHNSA-N. The full InChI is InChI=1S/C24H25F3N6O/c1-15(17-6-8-18(9-7-17)22(34)29-23(2)30-32-33-31-23)19-5-3-4-16(12-19)13-21-11-10-20(14-28-21)24(25,26)27/h3-5,10-12,14,18H,6-9,13H2,1-2H3,(H,29,34)/b17-15-.
What are the key properties of N-(5-methyltetrazol-5-yl)-4-[1-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexane-1-carboxamide?
N-(5-methyltetrazol-5-yl)-4-[1-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexane-1-carboxamide has a molecular weight of 470.50 g/mol, XLogP of 6.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyltetrazol-5-yl)-4-[1-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexane-1-carboxamide is sourced from PubChem (CID 89463604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).