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

C14H25N5O — CID 109111167

IUPAC6-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccc(NCCCN(C)C)nn1
InChIInChI=1S/C14H25N5O/c1-11(2)10-16-14(20)12-6-7-13(18-17-12)15-8-5-9-19(3)4/h6-7,11H,5,8-10H2,1-4H3,(H,15,18)(H,16,20)
InChIKeyJYHDYAIVHIQEBA-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.23
Rot. Bonds8

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

6-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide (PubChem CID 109111167) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
PubChem CID109111167
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name6-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccc(NCCCN(C)C)nn1
InChIInChI=1S/C14H25N5O/c1-11(2)10-16-14(20)12-6-7-13(18-17-12)15-8-5-9-19(3)4/h6-7,11H,5,8-10H2,1-4H3,(H,15,18)(H,16,20)
InChIKeyJYHDYAIVHIQEBA-UHFFFAOYSA-N
XLogP1.23
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.23
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-(dimethylamino)ethylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111165
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782
N-[3-(dimethylamino)propyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109116007
6-(3-methylbutylamino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111229
N-[2-(dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115146
6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109110589
6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide
CID 79207291
5-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272741
methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate
CID 60792902
N-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridazine-3-carboxamide
CID 103718413
6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111206
N-[(2-chlorophenyl)methyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115796

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide (CID 109111167) is 6-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide is CC(C)CNC(=O)c1ccc(NCCCN(C)C)nn1.
What is the InChIKey of 6-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide?
The InChIKey is JYHDYAIVHIQEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-11(2)10-16-14(20)12-6-7-13(18-17-12)15-8-5-9-19(3)4/h6-7,11H,5,8-10H2,1-4H3,(H,15,18)(H,16,20).
What are the key properties of 6-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide?
6-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109111167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).