N-(3,5-dichlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide

C16H17Cl2N5O — CID 109116280

IUPACN-(3,5-dichlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
SMILESCN1CCN(c2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)nn2)CC1
InChIInChI=1S/C16H17Cl2N5O/c1-22-4-6-23(7-5-22)15-3-2-14(20-21-15)16(24)19-13-9-11(17)8-12(18)10-13/h2-3,8-10H,4-7H2,1H3,(H,19,24)
InChIKeyQVRMGXYHQDUPAY-UHFFFAOYSA-N
MW366.25 g/mol
LogP2.79
Rot. Bonds3

About N-(3,5-dichlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide

N-(3,5-dichlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide (PubChem CID 109116280) has the molecular formula C16H17Cl2N5O and a molecular weight of 366.25 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
PubChem CID109116280
Molecular FormulaC16H17Cl2N5O
Molecular Weight366.25 g/mol
Exact Mass365.08
IUPAC NameN-(3,5-dichlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
SMILESCN1CCN(c2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)nn2)CC1
InChIInChI=1S/C16H17Cl2N5O/c1-22-4-6-23(7-5-22)15-3-2-14(20-21-15)16(24)19-13-9-11(17)8-12(18)10-13/h2-3,8-10H,4-7H2,1H3,(H,19,24)
InChIKeyQVRMGXYHQDUPAY-UHFFFAOYSA-N
XLogP2.79
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116216
methyl 3-[[6-(4-methylpiperazin-1-yl)pyridazine-3-carbonyl]amino]benzoate
CID 109116247
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-(3,5-dimethoxyphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027738
N-(4-chlorophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114542
N-(3-chloro-4-fluorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778476
N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116865
6-piperidin-1-yl-N-(3,4,5-trimethoxyphenyl)pyridazine-3-carboxamide
CID 109112601
6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126354
N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109123134
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111898

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide (CID 109116280) is N-(3,5-dichlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide is CN1CCN(c2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)nn2)CC1.
What is the InChIKey of N-(3,5-dichlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide?
The InChIKey is QVRMGXYHQDUPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N5O/c1-22-4-6-23(7-5-22)15-3-2-14(20-21-15)16(24)19-13-9-11(17)8-12(18)10-13/h2-3,8-10H,4-7H2,1H3,(H,19,24).
What are the key properties of N-(3,5-dichlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide?
N-(3,5-dichlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide has a molecular weight of 366.25 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109116280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).