N-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide

C15H19N5O — CID 109110804

IUPACN-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(NCc2ccccn2)nn1
InChIInChI=1S/C15H19N5O/c1-2-3-9-17-15(21)13-7-8-14(20-19-13)18-11-12-6-4-5-10-16-12/h4-8,10H,2-3,9,11H2,1H3,(H,17,21)(H,18,20)
InChIKeyGFSVJVSLMLYPPW-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.01
Rot. Bonds7

About N-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide

N-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 109110804) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
PubChem CID109110804
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(NCc2ccccn2)nn1
InChIInChI=1S/C15H19N5O/c1-2-3-9-17-15(21)13-7-8-14(20-19-13)18-11-12-6-4-5-10-16-12/h4-8,10H,2-3,9,11H2,1H3,(H,17,21)(H,18,20)
InChIKeyGFSVJVSLMLYPPW-UHFFFAOYSA-N
XLogP2.01
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.01
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-butyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120689
N-butyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109110791
N-pentyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283102
6-(benzylamino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109117697
N-butyl-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
CID 109110806
2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109094229
N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]pentanamide
CID 113041958
N-[(4-fluorophenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109119531
N-[(4-methoxyphenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120257
N-butyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109248078
N-cycloheptyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120685
N-propyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109270793

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide (CID 109110804) is N-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide is CCCCNC(=O)c1ccc(NCc2ccccn2)nn1.
What is the InChIKey of N-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is GFSVJVSLMLYPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-2-3-9-17-15(21)13-7-8-14(20-19-13)18-11-12-6-4-5-10-16-12/h4-8,10H,2-3,9,11H2,1H3,(H,17,21)(H,18,20).
What are the key properties of N-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
N-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109110804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).