6-cyclopropyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide

C28H26F3N3O2 — CID 89463587

IUPAC6-cyclopropyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1)c1ccc(C2CC2)nc1
InChIInChI=1S/C28H26F3N3O2/c29-28(30,31)22-9-13-26(33-17-22)36-24-3-1-2-19(15-24)14-18-4-10-23(11-5-18)34-27(35)21-8-12-25(32-16-21)20-6-7-20/h1-3,8-9,12-17,20,23H,4-7,10-11H2,(H,34,35)/b18-14-
InChIKeyPCHBRVGNAYXYFH-JXAWBTAJSA-N
MW493.53 g/mol
LogP6.92
Rot. Bonds6

About 6-cyclopropyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide

6-cyclopropyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (PubChem CID 89463587) has the molecular formula C28H26F3N3O2 and a molecular weight of 493.53 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
PubChem CID89463587
Molecular FormulaC28H26F3N3O2
Molecular Weight493.53 g/mol
Exact Mass493.20
IUPAC Name6-cyclopropyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1)c1ccc(C2CC2)nc1
InChIInChI=1S/C28H26F3N3O2/c29-28(30,31)22-9-13-26(33-17-22)36-24-3-1-2-19(15-24)14-18-4-10-23(11-5-18)34-27(35)21-8-12-25(32-16-21)20-6-7-20/h1-3,8-9,12-17,20,23H,4-7,10-11H2,(H,34,35)/b18-14-
InChIKeyPCHBRVGNAYXYFH-JXAWBTAJSA-N
XLogP6.92
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.53
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (CID 89463587) is 6-cyclopropyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is O=C(NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1)c1ccc(C2CC2)nc1.
What is the InChIKey of 6-cyclopropyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is PCHBRVGNAYXYFH-JXAWBTAJSA-N. The full InChI is InChI=1S/C28H26F3N3O2/c29-28(30,31)22-9-13-26(33-17-22)36-24-3-1-2-19(15-24)14-18-4-10-23(11-5-18)34-27(35)21-8-12-25(32-16-21)20-6-7-20/h1-3,8-9,12-17,20,23H,4-7,10-11H2,(H,34,35)/b18-14-.
What are the key properties of 6-cyclopropyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
6-cyclopropyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 493.53 g/mol, XLogP of 6.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 89463587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).