6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide

C17H21ClN4O — CID 109111206

IUPAC6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccc(NCCc2ccc(Cl)cc2)nn1
InChIInChI=1S/C17H21ClN4O/c1-12(2)11-20-17(23)15-7-8-16(22-21-15)19-10-9-13-3-5-14(18)6-4-13/h3-8,12H,9-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyVBOFWSQNZFUXFX-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.17
Rot. Bonds7

About 6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide

6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide (PubChem CID 109111206) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is 6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
PubChem CID109111206
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC Name6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccc(NCCc2ccc(Cl)cc2)nn1
InChIInChI=1S/C17H21ClN4O/c1-12(2)11-20-17(23)15-7-8-16(22-21-15)19-10-9-13-3-5-14(18)6-4-13/h3-8,12H,9-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyVBOFWSQNZFUXFX-UHFFFAOYSA-N
XLogP3.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(4-chlorophenyl)ethylamino]-N-pentylpyridazine-3-carboxamide
CID 109123350
6-(butylamino)-N-[2-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 109110630
N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109119889
6-(3-methylbutylamino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111229
6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151889
6-[2-(4-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109121995
6-[2-(dimethylamino)ethylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111165
6-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111167
N-[2-(4-chlorophenyl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118017
5-[2-(4-fluorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181046
N-[(4-chlorophenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114103
N-[2-(4-chlorophenyl)ethyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272973

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide (CID 109111206) is 6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide is CC(C)CNC(=O)c1ccc(NCCc2ccc(Cl)cc2)nn1.
What is the InChIKey of 6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide?
The InChIKey is VBOFWSQNZFUXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-12(2)11-20-17(23)15-7-8-16(22-21-15)19-10-9-13-3-5-14(18)6-4-13/h3-8,12H,9-11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide?
6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide has a molecular weight of 332.83 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109111206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).