1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(4-methylpiperazin-1-yl)piperidine-4-carboxamide

C21H27ClN6O — CID 30362233

IUPAC1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(4-methylpiperazin-1-yl)piperidine-4-carboxamide
SMILESCN1CCN(NC(=O)C2CCN(c3ccc(-c4ccc(Cl)cc4)nn3)CC2)CC1
InChIInChI=1S/C21H27ClN6O/c1-26-12-14-28(15-13-26)25-21(29)17-8-10-27(11-9-17)20-7-6-19(23-24-20)16-2-4-18(22)5-3-16/h2-7,17H,8-15H2,1H3,(H,25,29)
InChIKeyLZLLHGVPASQTHQ-UHFFFAOYSA-N
MW414.94 g/mol
LogP2.29
Rot. Bonds4

About 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(4-methylpiperazin-1-yl)piperidine-4-carboxamide

1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(4-methylpiperazin-1-yl)piperidine-4-carboxamide (PubChem CID 30362233) has the molecular formula C21H27ClN6O and a molecular weight of 414.94 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(4-methylpiperazin-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(4-methylpiperazin-1-yl)piperidine-4-carboxamide
PubChem CID30362233
Molecular FormulaC21H27ClN6O
Molecular Weight414.94 g/mol
Exact Mass414.19
IUPAC Name1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(4-methylpiperazin-1-yl)piperidine-4-carboxamide
SMILESCN1CCN(NC(=O)C2CCN(c3ccc(-c4ccc(Cl)cc4)nn3)CC2)CC1
InChIInChI=1S/C21H27ClN6O/c1-26-12-14-28(15-13-26)25-21(29)17-8-10-27(11-9-17)20-7-6-19(23-24-20)16-2-4-18(22)5-3-16/h2-7,17H,8-15H2,1H3,(H,25,29)
InChIKeyLZLLHGVPASQTHQ-UHFFFAOYSA-N
XLogP2.29
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90544006
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide
CID 30362227
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 30362072
N-[(4-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30362689
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 30362082
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
N-(4-methylpiperazin-1-yl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118540
N-[(2-chlorophenyl)methyl]-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30361507
2-(2,5-dichlorophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992897
2-(2-chlorophenyl)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992928
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 30361698

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(4-methylpiperazin-1-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(4-methylpiperazin-1-yl)piperidine-4-carboxamide (CID 30362233) is 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(4-methylpiperazin-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(4-methylpiperazin-1-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(4-methylpiperazin-1-yl)piperidine-4-carboxamide is CN1CCN(NC(=O)C2CCN(c3ccc(-c4ccc(Cl)cc4)nn3)CC2)CC1.
What is the InChIKey of 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(4-methylpiperazin-1-yl)piperidine-4-carboxamide?
The InChIKey is LZLLHGVPASQTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN6O/c1-26-12-14-28(15-13-26)25-21(29)17-8-10-27(11-9-17)20-7-6-19(23-24-20)16-2-4-18(22)5-3-16/h2-7,17H,8-15H2,1H3,(H,25,29).
What are the key properties of 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(4-methylpiperazin-1-yl)piperidine-4-carboxamide?
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(4-methylpiperazin-1-yl)piperidine-4-carboxamide has a molecular weight of 414.94 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(4-methylpiperazin-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 30362233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).