6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide

C28H38F2N4O2 — CID 58438425

IUPAC6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide
SMILESCCCCc1nnc(C(=O)NCC2CCN(C)CC2(F)F)cc1-c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C28H38F2N4O2/c1-3-4-10-25-24(20-11-13-23(14-12-20)36-22-8-6-5-7-9-22)17-26(33-32-25)27(35)31-18-21-15-16-34(2)19-28(21,29)30/h11-14,17,21-22H,3-10,15-16,18-19H2,1-2H3,(H,31,35)
InChIKeyVRAOJSYPECYVOW-UHFFFAOYSA-N
MW500.63 g/mol
LogP5.51
Rot. Bonds9

About 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide

6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide (PubChem CID 58438425) has the molecular formula C28H38F2N4O2 and a molecular weight of 500.63 g/mol. Its IUPAC name is 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide
PubChem CID58438425
Molecular FormulaC28H38F2N4O2
Molecular Weight500.63 g/mol
Exact Mass500.30
IUPAC Name6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide
SMILESCCCCc1nnc(C(=O)NCC2CCN(C)CC2(F)F)cc1-c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C28H38F2N4O2/c1-3-4-10-25-24(20-11-13-23(14-12-20)36-22-8-6-5-7-9-22)17-26(33-32-25)27(35)31-18-21-15-16-34(2)19-28(21,29)30/h11-14,17,21-22H,3-10,15-16,18-19H2,1-2H3,(H,31,35)
InChIKeyVRAOJSYPECYVOW-UHFFFAOYSA-N
XLogP5.51
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.63
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide with MolForge

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Related Compounds

6-butyl-5-(4-cyclohexyloxyphenyl)-N-(3,3-difluoro-1-methylpiperidin-4-yl)pyridazine-3-carboxamide;dihydrochloride
CID 67372759
6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(4-hydroxy-1-methylpiperidin-3-yl)methyl]pyridazine-3-carboxamide
CID 58438430
6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(4-methoxy-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide;dihydrochloride
CID 67374483
6-butyl-5-(4-cyclohexyloxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridazine-3-carboxamide
CID 58438360
6-butyl-5-(4-cyclohexyloxyphenyl)-N-[[(3S)-3-fluoropiperidin-4-yl]methyl]pyridazine-3-carboxamide
CID 67374134
6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyridazine-3-carboxamide
CID 53372199
3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyridazine;dihydrochloride
CID 67373246
4-[[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxymethyl]-1-methylpiperidin-3-ol;dihydrochloride
CID 67374764
ethyl 3-[4-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxypiperidin-1-yl]propanoate;dihydrochloride
CID 67373658
bis(3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4,4-difluoropiperidin-3-yl)methoxy]pyridazine);dihydrochloride
CID 173066713
3-butyl-4-(4-cyclohexyloxyphenyl)-6-[2-[(2S)-1-methylpiperidin-2-yl]ethoxy]pyridazine
CID 58438368
[2-(azidomethyl)morpholin-4-yl]-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]methanone
CID 123965555

Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide (CID 58438425) is 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide is CCCCc1nnc(C(=O)NCC2CCN(C)CC2(F)F)cc1-c1ccc(OC2CCCCC2)cc1.
What is the InChIKey of 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide?
The InChIKey is VRAOJSYPECYVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38F2N4O2/c1-3-4-10-25-24(20-11-13-23(14-12-20)36-22-8-6-5-7-9-22)17-26(33-32-25)27(35)31-18-21-15-16-34(2)19-28(21,29)30/h11-14,17,21-22H,3-10,15-16,18-19H2,1-2H3,(H,31,35).
What are the key properties of 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide?
6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide has a molecular weight of 500.63 g/mol, XLogP of 5.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 58438425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).