N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]cyclohexanecarboxamide

C22H29N5O — CID 53154118

IUPACN-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]cyclohexanecarboxamide
SMILESCN1CCN(c2ccc(-c3cccc(NC(=O)C4CCCCC4)c3)nn2)CC1
InChIInChI=1S/C22H29N5O/c1-26-12-14-27(15-13-26)21-11-10-20(24-25-21)18-8-5-9-19(16-18)23-22(28)17-6-3-2-4-7-17/h5,8-11,16-17H,2-4,6-7,12-15H2,1H3,(H,23,28)
InChIKeyXZZHKDKFSXLNPT-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.41
Rot. Bonds4

About N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]cyclohexanecarboxamide

N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]cyclohexanecarboxamide (PubChem CID 53154118) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]cyclohexanecarboxamide
PubChem CID53154118
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC NameN-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]cyclohexanecarboxamide
SMILESCN1CCN(c2ccc(-c3cccc(NC(=O)C4CCCCC4)c3)nn2)CC1
InChIInChI=1S/C22H29N5O/c1-26-12-14-27(15-13-26)21-11-10-20(24-25-21)18-8-5-9-19(16-18)23-22(28)17-6-3-2-4-7-17/h5,8-11,16-17H,2-4,6-7,12-15H2,1H3,(H,23,28)
InChIKeyXZZHKDKFSXLNPT-UHFFFAOYSA-N
XLogP3.41
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]cyclohexanecarboxamide (CID 53154118) is N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]cyclohexanecarboxamide is CN1CCN(c2ccc(-c3cccc(NC(=O)C4CCCCC4)c3)nn2)CC1.
What is the InChIKey of N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]cyclohexanecarboxamide?
The InChIKey is XZZHKDKFSXLNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-26-12-14-27(15-13-26)21-11-10-20(24-25-21)18-8-5-9-19(16-18)23-22(28)17-6-3-2-4-7-17/h5,8-11,16-17H,2-4,6-7,12-15H2,1H3,(H,23,28).
What are the key properties of N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]cyclohexanecarboxamide?
N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]cyclohexanecarboxamide has a molecular weight of 379.51 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 53154118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).