N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]cyclohexanecarboxamide

C22H29N5O — CID 113043644

IUPACN-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]cyclohexanecarboxamide
SMILESCc1cccc(N2CCN(c3ccc(NC(=O)C4CCCCC4)nn3)CC2)c1
InChIInChI=1S/C22H29N5O/c1-17-6-5-9-19(16-17)26-12-14-27(15-13-26)21-11-10-20(24-25-21)23-22(28)18-7-3-2-4-8-18/h5-6,9-11,16,18H,2-4,7-8,12-15H2,1H3,(H,23,24,28)
InChIKeySFBHADYMANYQBW-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.63
Rot. Bonds4

About N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]cyclohexanecarboxamide

N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]cyclohexanecarboxamide (PubChem CID 113043644) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]cyclohexanecarboxamide
PubChem CID113043644
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC NameN-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]cyclohexanecarboxamide
SMILESCc1cccc(N2CCN(c3ccc(NC(=O)C4CCCCC4)nn3)CC2)c1
InChIInChI=1S/C22H29N5O/c1-17-6-5-9-19(16-17)26-12-14-27(15-13-26)21-11-10-20(24-25-21)23-22(28)18-7-3-2-4-8-18/h5-6,9-11,16,18H,2-4,7-8,12-15H2,1H3,(H,23,24,28)
InChIKeySFBHADYMANYQBW-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]propanamide
CID 113043638
N-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]cyclopropanecarboxamide
CID 113043728
3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]butanamide
CID 113043643
[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112677
[6-(azepan-1-yl)pyridazin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109123948
[4-(3-methylphenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methanone
CID 71794792
N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide
CID 113014312
N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]cyclobutanecarboxamide
CID 113043076
N-[5-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]cyclohexanecarboxamide
CID 113029443
N-(5-methyl-1,2-oxazol-3-yl)-6-[4-(3-methylphenyl)piperazin-1-yl]pyridazine-3-carboxamide
CID 109123938
1-[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]piperidine-3-carboxylic acid
CID 122660230
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide
CID 90545334

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]cyclohexanecarboxamide (CID 113043644) is N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]cyclohexanecarboxamide is Cc1cccc(N2CCN(c3ccc(NC(=O)C4CCCCC4)nn3)CC2)c1.
What is the InChIKey of N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]cyclohexanecarboxamide?
The InChIKey is SFBHADYMANYQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-17-6-5-9-19(16-17)26-12-14-27(15-13-26)21-11-10-20(24-25-21)23-22(28)18-7-3-2-4-8-18/h5-6,9-11,16,18H,2-4,7-8,12-15H2,1H3,(H,23,24,28).
What are the key properties of N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]cyclohexanecarboxamide?
N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]cyclohexanecarboxamide has a molecular weight of 379.51 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 113043644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).