3,4-dichloro-N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]benzamide

C16H19Cl2N5O — CID 113040114

IUPAC3,4-dichloro-N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]benzamide
SMILESCN(C)CCCNc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C16H19Cl2N5O/c1-23(2)9-3-8-19-14-6-7-15(22-21-14)20-16(24)11-4-5-12(17)13(18)10-11/h4-7,10H,3,8-9H2,1-2H3,(H,19,21)(H,20,22,24)
InChIKeyJYQHIPISJBVGOI-UHFFFAOYSA-N
MW368.27 g/mol
LogP3.40
Rot. Bonds7

About 3,4-dichloro-N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]benzamide

3,4-dichloro-N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]benzamide (PubChem CID 113040114) has the molecular formula C16H19Cl2N5O and a molecular weight of 368.27 g/mol. Its IUPAC name is 3,4-dichloro-N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]benzamide
PubChem CID113040114
Molecular FormulaC16H19Cl2N5O
Molecular Weight368.27 g/mol
Exact Mass367.10
IUPAC Name3,4-dichloro-N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]benzamide
SMILESCN(C)CCCNc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C16H19Cl2N5O/c1-23(2)9-3-8-19-14-6-7-15(22-21-14)20-16(24)11-4-5-12(17)13(18)10-11/h4-7,10H,3,8-9H2,1-2H3,(H,19,21)(H,20,22,24)
InChIKeyJYQHIPISJBVGOI-UHFFFAOYSA-N
XLogP3.40
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,4-dichloro-N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113040137
4-chloro-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]benzamide
CID 113039930
3,4-dichloro-N-[6-(prop-2-enylamino)pyridazin-3-yl]benzamide
CID 113038199
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782
N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113038336
N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113039907
N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethoxybenzamide
CID 113038339
N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113040148
3-chloro-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzamide
CID 113010961
N-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109168419
3,4-dichloro-N-[5-(pentylamino)-2-pyridinyl]benzamide
CID 113030403
N-(3-acetamidophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109154328

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]benzamide (CID 113040114) is 3,4-dichloro-N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]benzamide is CN(C)CCCNc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)nn1.
What is the InChIKey of 3,4-dichloro-N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]benzamide?
The InChIKey is JYQHIPISJBVGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N5O/c1-23(2)9-3-8-19-14-6-7-15(22-21-14)20-16(24)11-4-5-12(17)13(18)10-11/h4-7,10H,3,8-9H2,1-2H3,(H,19,21)(H,20,22,24).
What are the key properties of 3,4-dichloro-N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]benzamide?
3,4-dichloro-N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]benzamide has a molecular weight of 368.27 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 113040114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).