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'}

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Related Compounds

2-(benzyloxy)-5-(2-fluoropyridin-4-yl)-N-(pyridin-3-yl)benzamide
CID 68107965
1-[2-[[2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 11642453
1-[2-[(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 68530003
3-methoxy-N-3-pyridinyl-2-naphthamide
CID 776754
N-[4-[4-[1-(pyridin-4-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 44532820
2-[[2-Naphthalen-1-yloxy-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 57403026
N-pyridin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexane-1-carboxamide
CID 89472141
US9969726, Example 150
CID 118577270
US9828369, Example 126
CID 118916539
US9828369, Example 46
CID 118916542
US9828369, Example 61
CID 118916551
US9828369, Example 59
CID 118916552

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).