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

C28H40N4O2 — CID 58438360

IUPAC6-butyl-5-(4-cyclohexyloxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridazine-3-carboxamide
SMILESCCCCc1nnc(C(=O)N(C)C2CCN(C)CC2)cc1-c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C28H40N4O2/c1-4-5-11-26-25(21-12-14-24(15-13-21)34-23-9-7-6-8-10-23)20-27(30-29-26)28(33)32(3)22-16-18-31(2)19-17-22/h12-15,20,22-23H,4-11,16-19H2,1-3H3
InChIKeyBQZIIISHXOCCJG-UHFFFAOYSA-N
MW464.65 g/mol
LogP5.36
Rot. Bonds8

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

6-butyl-5-(4-cyclohexyloxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridazine-3-carboxamide (PubChem CID 58438360) has the molecular formula C28H40N4O2 and a molecular weight of 464.65 g/mol. Its IUPAC name is 6-butyl-5-(4-cyclohexyloxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-butyl-5-(4-cyclohexyloxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridazine-3-carboxamide
PubChem CID58438360
Molecular FormulaC28H40N4O2
Molecular Weight464.65 g/mol
Exact Mass464.32
IUPAC Name6-butyl-5-(4-cyclohexyloxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridazine-3-carboxamide
SMILESCCCCc1nnc(C(=O)N(C)C2CCN(C)CC2)cc1-c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C28H40N4O2/c1-4-5-11-26-25(21-12-14-24(15-13-21)34-23-9-7-6-8-10-23)20-27(30-29-26)28(33)32(3)22-16-18-31(2)19-17-22/h12-15,20,22-23H,4-11,16-19H2,1-3H3
InChIKeyBQZIIISHXOCCJG-UHFFFAOYSA-N
XLogP5.36
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.65
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(4-hydroxy-1-methylpiperidin-3-yl)methyl]pyridazine-3-carboxamide
CID 58438430
6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide
CID 58438425
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-(3,3-difluoro-1-methylpiperidin-4-yl)pyridazine-3-carboxamide;dihydrochloride
CID 67372759
3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyridazine;dihydrochloride
CID 67373246
6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyridazine-3-carboxamide
CID 53372199
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
6-butyl-5-(4-cyclohexyloxyphenyl)-N-[[(3S)-3-fluoropiperidin-4-yl]methyl]pyridazine-3-carboxamide
CID 67374134
[2-(azidomethyl)morpholin-4-yl]-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]methanone
CID 123965555
3-butyl-4-(4-cyclohexyloxyphenyl)-6-[2-[(2S)-1-methylpiperidin-2-yl]ethoxy]pyridazine
CID 58438368
(3S,6R)-3-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxy-8-methyl-8-azabicyclo[3.2.1]octan-6-ol;dihydrochloride
CID 67387313

Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-(4-cyclohexyloxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-butyl-5-(4-cyclohexyloxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridazine-3-carboxamide (CID 58438360) is 6-butyl-5-(4-cyclohexyloxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-butyl-5-(4-cyclohexyloxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-butyl-5-(4-cyclohexyloxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridazine-3-carboxamide is CCCCc1nnc(C(=O)N(C)C2CCN(C)CC2)cc1-c1ccc(OC2CCCCC2)cc1.
What is the InChIKey of 6-butyl-5-(4-cyclohexyloxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridazine-3-carboxamide?
The InChIKey is BQZIIISHXOCCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O2/c1-4-5-11-26-25(21-12-14-24(15-13-21)34-23-9-7-6-8-10-23)20-27(30-29-26)28(33)32(3)22-16-18-31(2)19-17-22/h12-15,20,22-23H,4-11,16-19H2,1-3H3.
What are the key properties of 6-butyl-5-(4-cyclohexyloxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridazine-3-carboxamide?
6-butyl-5-(4-cyclohexyloxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridazine-3-carboxamide has a molecular weight of 464.65 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5-(4-cyclohexyloxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 58438360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).