6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(4-methoxy-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide;dihydrochloride

C29H44Cl2N4O3 — CID 67374483

IUPAC6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(4-methoxy-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide;dihydrochloride
SMILESCCCCc1nnc(C(=O)NCC2(OC)CCN(C)CC2)cc1-c1ccc(OC2CCCCC2)cc1.Cl.Cl
InChIInChI=1S/C29H42N4O3.2ClH/c1-4-5-11-26-25(22-12-14-24(15-13-22)36-23-9-7-6-8-10-23)20-27(32-31-26)28(34)30-21-29(35-3)16-18-33(2)19-17-29;;/h12-15,20,23H,4-11,16-19,21H2,1-3H3,(H,30,34);2*1H
InChIKeyCUFKZKHWDUTLIA-UHFFFAOYSA-N
MW567.60 g/mol
LogP5.88
Rot. Bonds10

About 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(4-methoxy-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide;dihydrochloride

6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(4-methoxy-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide;dihydrochloride (PubChem CID 67374483) has the molecular formula C29H44Cl2N4O3 and a molecular weight of 567.60 g/mol. Its IUPAC name is 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(4-methoxy-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(4-methoxy-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide;dihydrochloride
PubChem CID67374483
Molecular FormulaC29H44Cl2N4O3
Molecular Weight567.60 g/mol
Exact Mass566.28
IUPAC Name6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(4-methoxy-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide;dihydrochloride
SMILESCCCCc1nnc(C(=O)NCC2(OC)CCN(C)CC2)cc1-c1ccc(OC2CCCCC2)cc1.Cl.Cl
InChIInChI=1S/C29H42N4O3.2ClH/c1-4-5-11-26-25(22-12-14-24(15-13-22)36-23-9-7-6-8-10-23)20-27(32-31-26)28(34)30-21-29(35-3)16-18-33(2)19-17-29;;/h12-15,20,23H,4-11,16-19,21H2,1-3H3,(H,30,34);2*1H
InChIKeyCUFKZKHWDUTLIA-UHFFFAOYSA-N
XLogP5.88
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.60
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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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-methyl-N-(1-methylpiperidin-4-yl)pyridazine-3-carboxamide
CID 58438360
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-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyridazine-3-carboxamide
CID 53372199
6-butyl-5-(4-cyclohexyloxyphenyl)-N-[[(3S)-3-fluoropiperidin-4-yl]methyl]pyridazine-3-carboxamide
CID 67374134
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
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
[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-[(4-methoxy-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide;dihydrochloride?
The IUPAC name of 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(4-methoxy-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide;dihydrochloride (CID 67374483) is 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(4-methoxy-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(4-methoxy-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide;dihydrochloride?
The canonical SMILES for 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(4-methoxy-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide;dihydrochloride is CCCCc1nnc(C(=O)NCC2(OC)CCN(C)CC2)cc1-c1ccc(OC2CCCCC2)cc1.Cl.Cl.
What is the InChIKey of 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(4-methoxy-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide;dihydrochloride?
The InChIKey is CUFKZKHWDUTLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N4O3.2ClH/c1-4-5-11-26-25(22-12-14-24(15-13-22)36-23-9-7-6-8-10-23)20-27(32-31-26)28(34)30-21-29(35-3)16-18-33(2)19-17-29;;/h12-15,20,23H,4-11,16-19,21H2,1-3H3,(H,30,34);2*1H.
What are the key properties of 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(4-methoxy-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide;dihydrochloride?
6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(4-methoxy-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide;dihydrochloride has a molecular weight of 567.60 g/mol, XLogP of 5.88, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(4-methoxy-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 67374483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).