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

C27H27F3N4O2 — CID 71544074

IUPAC6-(dimethylamino)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NC2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)CC2)cn1
InChIInChI=1S/C27H27F3N4O2/c1-34(2)24-12-8-20(16-31-24)26(35)33-22-10-6-18(7-11-22)14-19-4-3-5-23(15-19)36-25-13-9-21(17-32-25)27(28,29)30/h3-5,8-9,12-17,22H,6-7,10-11H2,1-2H3,(H,33,35)/b18-14-
InChIKeyYGDKETJVBNSVPP-JXAWBTAJSA-N
MW496.53 g/mol
LogP6.11
Rot. Bonds6

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

6-(dimethylamino)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (PubChem CID 71544074) has the molecular formula C27H27F3N4O2 and a molecular weight of 496.53 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
PubChem CID71544074
Molecular FormulaC27H27F3N4O2
Molecular Weight496.53 g/mol
Exact Mass496.21
IUPAC Name6-(dimethylamino)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NC2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)CC2)cn1
InChIInChI=1S/C27H27F3N4O2/c1-34(2)24-12-8-20(16-31-24)26(35)33-22-10-6-18(7-11-22)14-19-4-3-5-23(15-19)36-25-13-9-21(17-32-25)27(28,29)30/h3-5,8-9,12-17,22H,6-7,10-11H2,1-2H3,(H,33,35)/b18-14-
InChIKeyYGDKETJVBNSVPP-JXAWBTAJSA-N
XLogP6.11
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.53
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(dimethylamino)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (CID 71544074) is 6-(dimethylamino)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is CN(C)c1ccc(C(=O)NC2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)CC2)cn1.
What is the InChIKey of 6-(dimethylamino)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is YGDKETJVBNSVPP-JXAWBTAJSA-N. The full InChI is InChI=1S/C27H27F3N4O2/c1-34(2)24-12-8-20(16-31-24)26(35)33-22-10-6-18(7-11-22)14-19-4-3-5-23(15-19)36-25-13-9-21(17-32-25)27(28,29)30/h3-5,8-9,12-17,22H,6-7,10-11H2,1-2H3,(H,33,35)/b18-14-.
What are the key properties of 6-(dimethylamino)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
6-(dimethylamino)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 496.53 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 71544074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).