6-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide

C17H22ClN5O — CID 109115965

IUPAC6-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(NCc2ccccc2Cl)nn1
InChIInChI=1S/C17H22ClN5O/c1-23(2)11-5-10-19-17(24)15-8-9-16(22-21-15)20-12-13-6-3-4-7-14(13)18/h3-4,6-9H,5,10-12H2,1-2H3,(H,19,24)(H,20,22)
InChIKeyDRFHRZFSUAQHGN-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.42
Rot. Bonds8

About 6-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide

6-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide (PubChem CID 109115965) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide
PubChem CID109115965
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC Name6-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(NCc2ccccc2Cl)nn1
InChIInChI=1S/C17H22ClN5O/c1-23(2)11-5-10-19-17(24)15-8-9-16(22-21-15)20-12-13-6-3-4-7-14(13)18/h3-4,6-9H,5,10-12H2,1-2H3,(H,19,24)(H,20,22)
InChIKeyDRFHRZFSUAQHGN-UHFFFAOYSA-N
XLogP2.42
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115796
6-[(2-chlorophenyl)methylamino]-N-propylpyridazine-3-carboxamide
CID 109109231
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782
6-[(2-chlorophenyl)methylamino]-N-prop-2-enylpyridazine-3-carboxamide
CID 109110410
N-butyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109110791
6-[(2-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridazine-3-carboxamide
CID 109119670
N-[3-(dimethylamino)propyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109116007
N-[2-(dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115146
6-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109119678
N-butan-2-yl-6-[(2-chlorophenyl)methylamino]pyridazine-3-carboxamide
CID 109111563
N'-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]propanediamide
CID 108944155
N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-chlorophenyl)methylamino]pyridazine-3-carboxamide
CID 109119641

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide?
The IUPAC name of 6-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide (CID 109115965) is 6-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide is CN(C)CCCNC(=O)c1ccc(NCc2ccccc2Cl)nn1.
What is the InChIKey of 6-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide?
The InChIKey is DRFHRZFSUAQHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O/c1-23(2)11-5-10-19-17(24)15-8-9-16(22-21-15)20-12-13-6-3-4-7-14(13)18/h3-4,6-9H,5,10-12H2,1-2H3,(H,19,24)(H,20,22).
What are the key properties of 6-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide?
6-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109115965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).