6-(butylamino)-N-cyclohexyl-4-propan-2-ylpyridazine-3-carboxamide

C18H30N4O — CID 141463775

IUPAC6-(butylamino)-N-cyclohexyl-4-propan-2-ylpyridazine-3-carboxamide
SMILESCCCCNc1cc(C(C)C)c(C(=O)NC2CCCCC2)nn1
InChIInChI=1S/C18H30N4O/c1-4-5-11-19-16-12-15(13(2)3)17(22-21-16)18(23)20-14-9-7-6-8-10-14/h12-14H,4-11H2,1-3H3,(H,19,21)(H,20,23)
InChIKeyADKGXTDGXODFLI-UHFFFAOYSA-N
MW318.47 g/mol
LogP3.87
Rot. Bonds7

About 6-(butylamino)-N-cyclohexyl-4-propan-2-ylpyridazine-3-carboxamide

6-(butylamino)-N-cyclohexyl-4-propan-2-ylpyridazine-3-carboxamide (PubChem CID 141463775) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 6-(butylamino)-N-cyclohexyl-4-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(butylamino)-N-cyclohexyl-4-propan-2-ylpyridazine-3-carboxamide
PubChem CID141463775
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name6-(butylamino)-N-cyclohexyl-4-propan-2-ylpyridazine-3-carboxamide
SMILESCCCCNc1cc(C(C)C)c(C(=O)NC2CCCCC2)nn1
InChIInChI=1S/C18H30N4O/c1-4-5-11-19-16-12-15(13(2)3)17(22-21-16)18(23)20-14-9-7-6-8-10-14/h12-14H,4-11H2,1-3H3,(H,19,21)(H,20,23)
InChIKeyADKGXTDGXODFLI-UHFFFAOYSA-N
XLogP3.87
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(butylamino)-N-cyclohexyl-4-propan-2-ylpyridazine-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

2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(6-phenylpyridazin-3-yl)acetamide
CID 118174196
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (4-CYCLOPROPYLBUTYL)AMIDE
CID 11178995
6-[4-(2-METHYLCYCLOHEXANECARBONYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11338533
6-[4-(2-DIMETHYLAMINOBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11339214
6-[4-(2,5-DIMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11350306
6-[4-(3,3,3-TRIFLUORO-2-METHYL-2-TRIFLUOROMETHYLPROPIONYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11442719
N-(2-cyclopropylethyl)-6-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)pyridazine-3-carboxamide
CID 11487680
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (3-CYCLOPROPYLPROPYL)AMIDE
CID 11488029
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid Pentylamide
CID 11698083
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (3-METHYLBUTYL)AMIDE
CID 16035765
6-[4-(2-TRIFLUOROMETHYLBENZYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (3-METHYLBUTYL)AMIDE
CID 16733788
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-PHENYLPROPYL)AMIDE
CID 67011239

Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-N-cyclohexyl-4-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of 6-(butylamino)-N-cyclohexyl-4-propan-2-ylpyridazine-3-carboxamide (CID 141463775) is 6-(butylamino)-N-cyclohexyl-4-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(butylamino)-N-cyclohexyl-4-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for 6-(butylamino)-N-cyclohexyl-4-propan-2-ylpyridazine-3-carboxamide is CCCCNc1cc(C(C)C)c(C(=O)NC2CCCCC2)nn1.
What is the InChIKey of 6-(butylamino)-N-cyclohexyl-4-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is ADKGXTDGXODFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-4-5-11-19-16-12-15(13(2)3)17(22-21-16)18(23)20-14-9-7-6-8-10-14/h12-14H,4-11H2,1-3H3,(H,19,21)(H,20,23).
What are the key properties of 6-(butylamino)-N-cyclohexyl-4-propan-2-ylpyridazine-3-carboxamide?
6-(butylamino)-N-cyclohexyl-4-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 318.47 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-N-cyclohexyl-4-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 141463775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).