N-pyridin-3-yl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]ethylidene]cyclohexane-1-carboxamide

C30H26F3N3O2 — CID 89463632

IUPACN-pyridin-3-yl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]ethylidene]cyclohexane-1-carboxamide
SMILESO=C(Nc1cccnc1)C1CCC(=CCc2cc(Oc3ccc(C(F)(F)F)cn3)c3ccccc3c2)CC1
InChIInChI=1S/C30H26F3N3O2/c31-30(32,33)24-13-14-28(35-18-24)38-27-17-21(16-23-4-1-2-6-26(23)27)8-7-20-9-11-22(12-10-20)29(37)36-25-5-3-15-34-19-25/h1-7,13-19,22H,8-12H2,(H,36,37)/b20-7-
InChIKeyRGEALQDXWOIBDM-SCDVKCJHSA-N
MW517.55 g/mol
LogP7.74
Rot. Bonds6

About N-pyridin-3-yl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]ethylidene]cyclohexane-1-carboxamide

N-pyridin-3-yl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]ethylidene]cyclohexane-1-carboxamide (PubChem CID 89463632) has the molecular formula C30H26F3N3O2 and a molecular weight of 517.55 g/mol. Its IUPAC name is N-pyridin-3-yl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]ethylidene]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]ethylidene]cyclohexane-1-carboxamide
PubChem CID89463632
Molecular FormulaC30H26F3N3O2
Molecular Weight517.55 g/mol
Exact Mass517.20
IUPAC NameN-pyridin-3-yl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]ethylidene]cyclohexane-1-carboxamide
SMILESO=C(Nc1cccnc1)C1CCC(=CCc2cc(Oc3ccc(C(F)(F)F)cn3)c3ccccc3c2)CC1
InChIInChI=1S/C30H26F3N3O2/c31-30(32,33)24-13-14-28(35-18-24)38-27-17-21(16-23-4-1-2-6-26(23)27)8-7-20-9-11-22(12-10-20)29(37)36-25-5-3-15-34-19-25/h1-7,13-19,22H,8-12H2,(H,36,37)/b20-7-
InChIKeyRGEALQDXWOIBDM-SCDVKCJHSA-N
XLogP7.74
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.55
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-pyridin-3-yl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]ethylidene]cyclohexane-1-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 N-pyridin-3-yl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]ethylidene]cyclohexane-1-carboxamide?
The IUPAC name of N-pyridin-3-yl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]ethylidene]cyclohexane-1-carboxamide (CID 89463632) is N-pyridin-3-yl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]ethylidene]cyclohexane-1-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]ethylidene]cyclohexane-1-carboxamide?
The canonical SMILES for N-pyridin-3-yl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]ethylidene]cyclohexane-1-carboxamide is O=C(Nc1cccnc1)C1CCC(=CCc2cc(Oc3ccc(C(F)(F)F)cn3)c3ccccc3c2)CC1.
What is the InChIKey of N-pyridin-3-yl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]ethylidene]cyclohexane-1-carboxamide?
The InChIKey is RGEALQDXWOIBDM-SCDVKCJHSA-N. The full InChI is InChI=1S/C30H26F3N3O2/c31-30(32,33)24-13-14-28(35-18-24)38-27-17-21(16-23-4-1-2-6-26(23)27)8-7-20-9-11-22(12-10-20)29(37)36-25-5-3-15-34-19-25/h1-7,13-19,22H,8-12H2,(H,36,37)/b20-7-.
What are the key properties of N-pyridin-3-yl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]ethylidene]cyclohexane-1-carboxamide?
N-pyridin-3-yl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]ethylidene]cyclohexane-1-carboxamide has a molecular weight of 517.55 g/mol, XLogP of 7.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]ethylidene]cyclohexane-1-carboxamide is sourced from PubChem (CID 89463632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).