N-heptyl-6-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridazine-3-carboxamide

C26H32F3N3O2 — CID 69397935

IUPACN-heptyl-6-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridazine-3-carboxamide
SMILESCCCCCCCNC(=O)c1ccc(C2CCC(C(=O)c3ccccc3C(F)(F)F)CC2)nn1
InChIInChI=1S/C26H32F3N3O2/c1-2-3-4-5-8-17-30-25(34)23-16-15-22(31-32-23)18-11-13-19(14-12-18)24(33)20-9-6-7-10-21(20)26(27,28)29/h6-7,9-10,15-16,18-19H,2-5,8,11-14,17H2,1H3,(H,30,34)
InChIKeyOAZUDTGAIANDTD-UHFFFAOYSA-N
MW475.56 g/mol
LogP6.35
Rot. Bonds10

About N-heptyl-6-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridazine-3-carboxamide

N-heptyl-6-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridazine-3-carboxamide (PubChem CID 69397935) has the molecular formula C26H32F3N3O2 and a molecular weight of 475.56 g/mol. Its IUPAC name is N-heptyl-6-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-heptyl-6-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridazine-3-carboxamide
PubChem CID69397935
Molecular FormulaC26H32F3N3O2
Molecular Weight475.56 g/mol
Exact Mass475.24
IUPAC NameN-heptyl-6-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridazine-3-carboxamide
SMILESCCCCCCCNC(=O)c1ccc(C2CCC(C(=O)c3ccccc3C(F)(F)F)CC2)nn1
InChIInChI=1S/C26H32F3N3O2/c1-2-3-4-5-8-17-30-25(34)23-16-15-22(31-32-23)18-11-13-19(14-12-18)24(33)20-9-6-7-10-21(20)26(27,28)29/h6-7,9-10,15-16,18-19H,2-5,8,11-14,17H2,1H3,(H,30,34)
InChIKeyOAZUDTGAIANDTD-UHFFFAOYSA-N
XLogP6.35
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.56
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(aziridin-1-yl)ethyl]-6-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridazine-3-carboxamide
CID 91417102
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-heptyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 67012400
N-pentyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 11698083
N-cyclopropyl-5-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridine-2-carboxamide
CID 69397632
cyclopropyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724101
5-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridine-2-carboxylic acid
CID 69400274
N-pentyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 11213066
N-decyl-5-fluoro-2-(trifluoromethyl)benzamide
CID 91731309
N-tetradecyl-2,5-bis(trifluoromethyl)benzamide
CID 91737858
2-chloro-N-undecylbenzamide
CID 3373978

Frequently Asked Questions

What is the IUPAC name of N-heptyl-6-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridazine-3-carboxamide?
The IUPAC name of N-heptyl-6-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridazine-3-carboxamide (CID 69397935) is N-heptyl-6-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-heptyl-6-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridazine-3-carboxamide?
The canonical SMILES for N-heptyl-6-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridazine-3-carboxamide is CCCCCCCNC(=O)c1ccc(C2CCC(C(=O)c3ccccc3C(F)(F)F)CC2)nn1.
What is the InChIKey of N-heptyl-6-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridazine-3-carboxamide?
The InChIKey is OAZUDTGAIANDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N3O2/c1-2-3-4-5-8-17-30-25(34)23-16-15-22(31-32-23)18-11-13-19(14-12-18)24(33)20-9-6-7-10-21(20)26(27,28)29/h6-7,9-10,15-16,18-19H,2-5,8,11-14,17H2,1H3,(H,30,34).
What are the key properties of N-heptyl-6-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridazine-3-carboxamide?
N-heptyl-6-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridazine-3-carboxamide has a molecular weight of 475.56 g/mol, XLogP of 6.35, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-6-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridazine-3-carboxamide is sourced from PubChem (CID 69397935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).