6-amino-N-(2-benzylbutyl)pyridazine-3-carboxamide

C16H20N4O — CID 164906032

IUPAC6-amino-N-(2-benzylbutyl)pyridazine-3-carboxamide
SMILESCCC(CNC(=O)c1ccc(N)nn1)Cc1ccccc1
InChIInChI=1S/C16H20N4O/c1-2-12(10-13-6-4-3-5-7-13)11-18-16(21)14-8-9-15(17)20-19-14/h3-9,12H,2,10-11H2,1H3,(H2,17,20)(H,18,21)
InChIKeyOIBKVIAMCQAXFJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.06
Rot. Bonds6

About 6-amino-N-(2-benzylbutyl)pyridazine-3-carboxamide

6-amino-N-(2-benzylbutyl)pyridazine-3-carboxamide (PubChem CID 164906032) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-amino-N-(2-benzylbutyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2-benzylbutyl)pyridazine-3-carboxamide
PubChem CID164906032
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name6-amino-N-(2-benzylbutyl)pyridazine-3-carboxamide
SMILESCCC(CNC(=O)c1ccc(N)nn1)Cc1ccccc1
InChIInChI=1S/C16H20N4O/c1-2-12(10-13-6-4-3-5-7-13)11-18-16(21)14-8-9-15(17)20-19-14/h3-9,12H,2,10-11H2,1H3,(H2,17,20)(H,18,21)
InChIKeyOIBKVIAMCQAXFJ-UHFFFAOYSA-N
XLogP2.06
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-amino-N-(2-benzylbutyl)pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-benzylbutyl)-2-methylpyrazole-3-carboxamide
CID 131949973
N-(2-acetamidoethyl)-6-aminopyridazine-3-carboxamide
CID 62154293
(2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-3-phenylpropanamide;hydrochloride
CID 119327618
1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 111102261
N-(2-ethylbutyl)-6-methylpyridine-2-carboxamide
CID 115612957
6-amino-N-(2-methylsulfonylethyl)pyridazine-3-carboxamide
CID 62153010
(2R)-2-benzylbutan-1-amine
CID 42325983
N-(2-benzylbutyl)piperazine-1-carboxamide
CID 131936268
3-benzylpentanoic acid
CID 57185920
[(2S)-1-phenylbutan-2-yl]urea
CID 7452634
6-amino-N-[(3-nitrophenyl)methyl]pyridazine-3-carboxamide
CID 62503346
1-(2-benzylbutyl)-3-(6-methyl-2-pyridinyl)thiourea
CID 133154601

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-benzylbutyl)pyridazine-3-carboxamide?
The IUPAC name of 6-amino-N-(2-benzylbutyl)pyridazine-3-carboxamide (CID 164906032) is 6-amino-N-(2-benzylbutyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(2-benzylbutyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-amino-N-(2-benzylbutyl)pyridazine-3-carboxamide is CCC(CNC(=O)c1ccc(N)nn1)Cc1ccccc1.
What is the InChIKey of 6-amino-N-(2-benzylbutyl)pyridazine-3-carboxamide?
The InChIKey is OIBKVIAMCQAXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-12(10-13-6-4-3-5-7-13)11-18-16(21)14-8-9-15(17)20-19-14/h3-9,12H,2,10-11H2,1H3,(H2,17,20)(H,18,21).
What are the key properties of 6-amino-N-(2-benzylbutyl)pyridazine-3-carboxamide?
6-amino-N-(2-benzylbutyl)pyridazine-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-benzylbutyl)pyridazine-3-carboxamide is sourced from PubChem (CID 164906032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).