N-(4-cyanophenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide

C17H20N6O — CID 109115946

IUPACN-(4-cyanophenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
SMILESCN(C)CCCNc1ccc(C(=O)Nc2ccc(C#N)cc2)nn1
InChIInChI=1S/C17H20N6O/c1-23(2)11-3-10-19-16-9-8-15(21-22-16)17(24)20-14-6-4-13(12-18)5-7-14/h4-9H,3,10-11H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyURJJKQQCKMDUGB-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.96
Rot. Bonds7

About N-(4-cyanophenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide

N-(4-cyanophenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide (PubChem CID 109115946) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is N-(4-cyanophenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
PubChem CID109115946
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC NameN-(4-cyanophenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
SMILESCN(C)CCCNc1ccc(C(=O)Nc2ccc(C#N)cc2)nn1
InChIInChI=1S/C17H20N6O/c1-23(2)11-3-10-19-16-9-8-15(21-22-16)17(24)20-14-6-4-13(12-18)5-7-14/h4-9H,3,10-11H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyURJJKQQCKMDUGB-UHFFFAOYSA-N
XLogP1.96
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyanophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110375
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782
N-(4-cyanophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122261
N-(4-cyanophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185633
6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide
CID 79207291
6-(butylamino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide
CID 109110726
6-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111167
6-(butan-2-ylamino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109111531
N-[4-(dimethylamino)phenyl]-6-(pentylamino)pyridazine-3-carboxamide
CID 109125429
6-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109119717
methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate
CID 60792902
N-[4-(dimethylamino)phenyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114220

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide (CID 109115946) is N-(4-cyanophenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide is CN(C)CCCNc1ccc(C(=O)Nc2ccc(C#N)cc2)nn1.
What is the InChIKey of N-(4-cyanophenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide?
The InChIKey is URJJKQQCKMDUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-23(2)11-3-10-19-16-9-8-15(21-22-16)17(24)20-14-6-4-13(12-18)5-7-14/h4-9H,3,10-11H2,1-2H3,(H,19,22)(H,20,24).
What are the key properties of N-(4-cyanophenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide?
N-(4-cyanophenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide has a molecular weight of 324.39 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109115946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).