N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide

C16H18ClN5O — CID 109116216

IUPACN-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
SMILESCN1CCN(c2ccc(C(=O)Nc3cccc(Cl)c3)nn2)CC1
InChIInChI=1S/C16H18ClN5O/c1-21-7-9-22(10-8-21)15-6-5-14(19-20-15)16(23)18-13-4-2-3-12(17)11-13/h2-6,11H,7-10H2,1H3,(H,18,23)
InChIKeyZZPGRVKMGAIXJO-UHFFFAOYSA-N
MW331.81 g/mol
LogP2.13
Rot. Bonds3

About N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide

N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide (PubChem CID 109116216) has the molecular formula C16H18ClN5O and a molecular weight of 331.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
PubChem CID109116216
Molecular FormulaC16H18ClN5O
Molecular Weight331.81 g/mol
Exact Mass331.12
IUPAC NameN-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
SMILESCN1CCN(c2ccc(C(=O)Nc3cccc(Cl)c3)nn2)CC1
InChIInChI=1S/C16H18ClN5O/c1-21-7-9-22(10-8-21)15-6-5-14(19-20-15)16(23)18-13-4-2-3-12(17)11-13/h2-6,11H,7-10H2,1H3,(H,18,23)
InChIKeyZZPGRVKMGAIXJO-UHFFFAOYSA-N
XLogP2.13
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dichlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116280
methyl 3-[[6-(4-methylpiperazin-1-yl)pyridazine-3-carbonyl]amino]benzoate
CID 109116247
N-(3-chlorophenyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 66850011
6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126354
N-(3-chlorophenyl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334555
N-(3-acetylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84574044
1-(3-chlorophenyl)-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90544025
N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116283
N-(4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116557
N-(3-chloro-4-fluorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778476
N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109123134
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109121754

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide (CID 109116216) is N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide is CN1CCN(c2ccc(C(=O)Nc3cccc(Cl)c3)nn2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide?
The InChIKey is ZZPGRVKMGAIXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O/c1-21-7-9-22(10-8-21)15-6-5-14(19-20-15)16(23)18-13-4-2-3-12(17)11-13/h2-6,11H,7-10H2,1H3,(H,18,23).
What are the key properties of N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide?
N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide has a molecular weight of 331.81 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109116216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).