N-[(2-chlorophenyl)methyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide

C17H22ClN5O — CID 109115796

IUPACN-[(2-chlorophenyl)methyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
SMILESCN(C)CCCNc1ccc(C(=O)NCc2ccccc2Cl)nn1
InChIInChI=1S/C17H22ClN5O/c1-23(2)11-5-10-19-16-9-8-15(21-22-16)17(24)20-12-13-6-3-4-7-14(13)18/h3-4,6-9H,5,10-12H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyCBCDEIIAPDJIGF-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.42
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide

N-[(2-chlorophenyl)methyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide (PubChem CID 109115796) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
PubChem CID109115796
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC NameN-[(2-chlorophenyl)methyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
SMILESCN(C)CCCNc1ccc(C(=O)NCc2ccccc2Cl)nn1
InChIInChI=1S/C17H22ClN5O/c1-23(2)11-5-10-19-16-9-8-15(21-22-16)17(24)20-12-13-6-3-4-7-14(13)18/h3-4,6-9H,5,10-12H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyCBCDEIIAPDJIGF-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

6-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide
CID 109115965
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782
6-[(2-chlorophenyl)methylamino]-N-propylpyridazine-3-carboxamide
CID 109109231
6-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111167
N-[(2-chlorophenyl)methyl]-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109366003
6-[(2-chlorophenyl)methylamino]-N-prop-2-enylpyridazine-3-carboxamide
CID 109110410
N-[2-(dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115146
6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109110589
N'-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]propanediamide
CID 108944155
6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide
CID 79207291
methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate
CID 60792902
N-[3-(dimethylamino)propyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109116007

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide (CID 109115796) is N-[(2-chlorophenyl)methyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide is CN(C)CCCNc1ccc(C(=O)NCc2ccccc2Cl)nn1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide?
The InChIKey is CBCDEIIAPDJIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O/c1-23(2)11-5-10-19-16-9-8-15(21-22-16)17(24)20-12-13-6-3-4-7-14(13)18/h3-4,6-9H,5,10-12H2,1-2H3,(H,19,22)(H,20,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-6-[3-(dimethylamino)propylamino]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 N-[(2-chlorophenyl)methyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109115796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).