1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide

C24H25ClN4O — CID 30362072

IUPAC1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CCN(c3ccc(-c4ccc(Cl)cc4)nn3)CC2)c1
InChIInChI=1S/C24H25ClN4O/c1-16-3-4-17(2)22(15-16)26-24(30)19-11-13-29(14-12-19)23-10-9-21(27-28-23)18-5-7-20(25)8-6-18/h3-10,15,19H,11-14H2,1-2H3,(H,26,30)
InChIKeySPMXJDAPBAVKOQ-UHFFFAOYSA-N
MW420.94 g/mol
LogP5.27
Rot. Bonds4

About 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide

1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide (PubChem CID 30362072) has the molecular formula C24H25ClN4O and a molecular weight of 420.94 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide
PubChem CID30362072
Molecular FormulaC24H25ClN4O
Molecular Weight420.94 g/mol
Exact Mass420.17
IUPAC Name1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CCN(c3ccc(-c4ccc(Cl)cc4)nn3)CC2)c1
InChIInChI=1S/C24H25ClN4O/c1-16-3-4-17(2)22(15-16)26-24(30)19-11-13-29(14-12-19)23-10-9-21(27-28-23)18-5-7-20(25)8-6-18/h3-10,15,19H,11-14H2,1-2H3,(H,26,30)
InChIKeySPMXJDAPBAVKOQ-UHFFFAOYSA-N
XLogP5.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.94
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025293
N-(2,4-dimethylphenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365483
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90544006
N-(2-methylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364975
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(4-methylpiperazin-1-yl)piperidine-4-carboxamide
CID 30362233
1-(6-phenylpyridazin-3-yl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 30360856
N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025290
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]piperidine-4-carboxamide
CID 121119423
N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 30360826
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide
CID 30362227
N-(5-chloro-2-methylphenyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 42160487
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide
CID 52992502

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide (CID 30362072) is 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide is Cc1ccc(C)c(NC(=O)C2CCN(c3ccc(-c4ccc(Cl)cc4)nn3)CC2)c1.
What is the InChIKey of 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide?
The InChIKey is SPMXJDAPBAVKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O/c1-16-3-4-17(2)22(15-16)26-24(30)19-11-13-29(14-12-19)23-10-9-21(27-28-23)18-5-7-20(25)8-6-18/h3-10,15,19H,11-14H2,1-2H3,(H,26,30).
What are the key properties of 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide?
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide has a molecular weight of 420.94 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 30362072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).