N-[3-(dimethylamino)propyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide

C15H27N5O — CID 109116007

IUPACN-[3-(dimethylamino)propyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
SMILESCC(C)CCNc1ccc(C(=O)NCCCN(C)C)nn1
InChIInChI=1S/C15H27N5O/c1-12(2)8-10-16-14-7-6-13(18-19-14)15(21)17-9-5-11-20(3)4/h6-7,12H,5,8-11H2,1-4H3,(H,16,19)(H,17,21)
InChIKeyDXHXXWUFMCXYQA-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.62
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide

N-[3-(dimethylamino)propyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide (PubChem CID 109116007) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
PubChem CID109116007
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC NameN-[3-(dimethylamino)propyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
SMILESCC(C)CCNc1ccc(C(=O)NCCCN(C)C)nn1
InChIInChI=1S/C15H27N5O/c1-12(2)8-10-16-14-7-6-13(18-19-14)15(21)17-9-5-11-20(3)4/h6-7,12H,5,8-11H2,1-4H3,(H,16,19)(H,17,21)
InChIKeyDXHXXWUFMCXYQA-UHFFFAOYSA-N
XLogP1.62
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.62
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-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782
6-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111167
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-[2-(dimethylamino)ethylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111165
N-[3-(dimethylamino)propyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109115961
6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109110589
6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide
CID 79207291
2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109096551
N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115508
6-hydrazinyl-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 62237645
N-[3-(dimethylamino)propyl]-6-methylpyridazine-3-carboxamide
CID 110705198

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide (CID 109116007) is N-[3-(dimethylamino)propyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide is CC(C)CCNc1ccc(C(=O)NCCCN(C)C)nn1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide?
The InChIKey is DXHXXWUFMCXYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-12(2)8-10-16-14-7-6-13(18-19-14)15(21)17-9-5-11-20(3)4/h6-7,12H,5,8-11H2,1-4H3,(H,16,19)(H,17,21).
What are the key properties of N-[3-(dimethylamino)propyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide?
N-[3-(dimethylamino)propyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109116007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).