6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyridazine-3-carboxamide

C26H38N4O3 — CID 53372199

IUPAC6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyridazine-3-carboxamide
SMILESCCCCc1nnc(C(=O)NC[C@@H](O)CN(C)C)cc1-c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C26H38N4O3/c1-4-5-11-24-23(16-25(29-28-24)26(32)27-17-20(31)18-30(2)3)19-12-14-22(15-13-19)33-21-9-7-6-8-10-21/h12-16,20-21,31H,4-11,17-18H2,1-3H3,(H,27,32)/t20-/m1/s1
InChIKeyIWGBMQGCAXZKJO-HXUWFJFHSA-N
MW454.62 g/mol
LogP3.85
Rot. Bonds11

About 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyridazine-3-carboxamide

6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyridazine-3-carboxamide (PubChem CID 53372199) has the molecular formula C26H38N4O3 and a molecular weight of 454.62 g/mol. Its IUPAC name is 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyridazine-3-carboxamide
PubChem CID53372199
Molecular FormulaC26H38N4O3
Molecular Weight454.62 g/mol
Exact Mass454.29
IUPAC Name6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyridazine-3-carboxamide
SMILESCCCCc1nnc(C(=O)NC[C@@H](O)CN(C)C)cc1-c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C26H38N4O3/c1-4-5-11-24-23(16-25(29-28-24)26(32)27-17-20(31)18-30(2)3)19-12-14-22(15-13-19)33-21-9-7-6-8-10-21/h12-16,20-21,31H,4-11,17-18H2,1-3H3,(H,27,32)/t20-/m1/s1
InChIKeyIWGBMQGCAXZKJO-HXUWFJFHSA-N
XLogP3.85
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-methyl-N-(1-methylpiperidin-4-yl)pyridazine-3-carboxamide
CID 58438360
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-[[(3S)-3-fluoropiperidin-4-yl]methyl]pyridazine-3-carboxamide
CID 67374134
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
[2-(azidomethyl)morpholin-4-yl]-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]methanone
CID 123965555
(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
ethyl 3-[4-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxypiperidin-1-yl]propanoate;dihydrochloride
CID 67373658
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
3-butyl-4-(4-cyclohexyloxyphenyl)-6-[2-[(2S)-1-methylpiperidin-2-yl]ethoxy]pyridazine
CID 58438368

Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyridazine-3-carboxamide?
The IUPAC name of 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyridazine-3-carboxamide (CID 53372199) is 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyridazine-3-carboxamide is CCCCc1nnc(C(=O)NC[C@@H](O)CN(C)C)cc1-c1ccc(OC2CCCCC2)cc1.
What is the InChIKey of 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyridazine-3-carboxamide?
The InChIKey is IWGBMQGCAXZKJO-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H38N4O3/c1-4-5-11-24-23(16-25(29-28-24)26(32)27-17-20(31)18-30(2)3)19-12-14-22(15-13-19)33-21-9-7-6-8-10-21/h12-16,20-21,31H,4-11,17-18H2,1-3H3,(H,27,32)/t20-/m1/s1.
What are the key properties of 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyridazine-3-carboxamide?
6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyridazine-3-carboxamide has a molecular weight of 454.62 g/mol, XLogP of 3.85, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyridazine-3-carboxamide is sourced from PubChem (CID 53372199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).