2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide

C18H25F2N3O — CID 178021638

IUPAC2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide
SMILESO=C(Nc1ccnnc1)C1CC(F)(F)CCC1C1CCCCCC1
InChIInChI=1S/C18H25F2N3O/c19-18(20)9-7-15(13-5-3-1-2-4-6-13)16(11-18)17(24)23-14-8-10-21-22-12-14/h8,10,12-13,15-16H,1-7,9,11H2,(H,21,23,24)
InChIKeyOIVQEHSSWMDAEQ-UHFFFAOYSA-N
MW337.41 g/mol
LogP4.44
Rot. Bonds3

About 2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide

2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide (PubChem CID 178021638) has the molecular formula C18H25F2N3O and a molecular weight of 337.41 g/mol. Its IUPAC name is 2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide
PubChem CID178021638
Molecular FormulaC18H25F2N3O
Molecular Weight337.41 g/mol
Exact Mass337.20
IUPAC Name2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide
SMILESO=C(Nc1ccnnc1)C1CC(F)(F)CCC1C1CCCCCC1
InChIInChI=1S/C18H25F2N3O/c19-18(20)9-7-15(13-5-3-1-2-4-6-13)16(11-18)17(24)23-14-8-10-21-22-12-14/h8,10,12-13,15-16H,1-7,9,11H2,(H,21,23,24)
InChIKeyOIVQEHSSWMDAEQ-UHFFFAOYSA-N
XLogP4.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 178021525
CID 178021525
methyl 4-[[2-(4,4-difluorocyclohexyl)-5,5-difluorocyclohexanecarbonyl]amino]pyridine-2-carboxylate
CID 178021079
2-cycloheptyl-5,5-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide
CID 178021704
cis-(1R,2S)-N-(2-aminosulfanyl-4-pyridinyl)-5,5-difluoro-2-(oxan-4-yl)cyclohexane-1-carboxamide
CID 178021502
(1R)-N-(2-aminosulfanyl-4-pyridinyl)-5,5-difluoro-2-[(1R,3R)-3-methylcyclohexyl]cyclohexane-1-carboxamide
CID 178021291
cis-(1R,2S)-N-(2-aminosulfanyl-4-pyridinyl)-2-(4,4-difluoro-3-methylcyclohexyl)-5,5-difluorocyclohexane-1-carboxamide
CID 178021144
N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carbonylamino)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide
CID 171576977
(5S,6R)-N-(3-acetyl-4-pyridinyl)-5-(4,4-difluorocyclohexyl)-2,2-difluorospiro[2.4]heptane-6-carboxamide
CID 178021690
trans-(1R,2R)-N-(2-aminosulfanyl-4-pyridinyl)-2-(cyclohexen-1-yl)-5,5-difluorocyclohexane-1-carboxamide
CID 178021397
2-[(1R,2S)-2-cycloheptyl-5,5-difluorocyclohexyl]-N-methyl-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021425
1,1-difluorocyclohexane;4-[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]pyridine-2-carboxamide
CID 178021073
(2R)-5,5-difluoro-2-(2-methylphenyl)-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide
CID 177192871

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of 2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide (CID 178021638) is 2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for 2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide is O=C(Nc1ccnnc1)C1CC(F)(F)CCC1C1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide?
The InChIKey is OIVQEHSSWMDAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O/c19-18(20)9-7-15(13-5-3-1-2-4-6-13)16(11-18)17(24)23-14-8-10-21-22-12-14/h8,10,12-13,15-16H,1-7,9,11H2,(H,21,23,24).
What are the key properties of 2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide?
2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide has a molecular weight of 337.41 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-5,5-difluoro-N-pyridazin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 178021638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).