6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexylidene]-4-(trifluoromethyl)pyridine-2-carboxamide

C19H21F3N4O3 — CID 156885949

IUPAC6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexylidene]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOCCOC1CCC(=NC(=O)c2cc(C(F)(F)F)cc(-n3ccnc3)n2)CC1
InChIInChI=1S/C19H21F3N4O3/c1-28-8-9-29-15-4-2-14(3-5-15)24-18(27)16-10-13(19(20,21)22)11-17(25-16)26-7-6-23-12-26/h6-7,10-12,15H,2-5,8-9H2,1H3/b24-14-
InChIKeyBSMHTCXLQYUVGG-OYKKKHCWSA-N
MW410.40 g/mol
LogP3.47
Rot. Bonds6

About 6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexylidene]-4-(trifluoromethyl)pyridine-2-carboxamide

6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexylidene]-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 156885949) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexylidene]-4-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexylidene]-4-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID156885949
Molecular FormulaC19H21F3N4O3
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC Name6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexylidene]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOCCOC1CCC(=NC(=O)c2cc(C(F)(F)F)cc(-n3ccnc3)n2)CC1
InChIInChI=1S/C19H21F3N4O3/c1-28-8-9-29-15-4-2-14(3-5-15)24-18(27)16-10-13(19(20,21)22)11-17(25-16)26-7-6-23-12-26/h6-7,10-12,15H,2-5,8-9H2,1H3/b24-14-
InChIKeyBSMHTCXLQYUVGG-OYKKKHCWSA-N
XLogP3.47
TPSA78.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexylidene]-4-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexylidene]-4-(trifluoromethyl)pyridine-2-carboxamide (CID 156885949) is 6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexylidene]-4-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexylidene]-4-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexylidene]-4-(trifluoromethyl)pyridine-2-carboxamide is COCCOC1CCC(=NC(=O)c2cc(C(F)(F)F)cc(-n3ccnc3)n2)CC1.
What is the InChIKey of 6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexylidene]-4-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is BSMHTCXLQYUVGG-OYKKKHCWSA-N. The full InChI is InChI=1S/C19H21F3N4O3/c1-28-8-9-29-15-4-2-14(3-5-15)24-18(27)16-10-13(19(20,21)22)11-17(25-16)26-7-6-23-12-26/h6-7,10-12,15H,2-5,8-9H2,1H3/b24-14-.
What are the key properties of 6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexylidene]-4-(trifluoromethyl)pyridine-2-carboxamide?
6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexylidene]-4-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 410.40 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexylidene]-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 156885949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).