6-anilino-N-butylpyridazine-3-carboxamide

C15H18N4O — CID 109110857

IUPAC6-anilino-N-butylpyridazine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(Nc2ccccc2)nn1
InChIInChI=1S/C15H18N4O/c1-2-3-11-16-15(20)13-9-10-14(19-18-13)17-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3,(H,16,20)(H,17,19)
InChIKeyWIWJFIHOVHFNNU-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.75
Rot. Bonds6

About 6-anilino-N-butylpyridazine-3-carboxamide

6-anilino-N-butylpyridazine-3-carboxamide (PubChem CID 109110857) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 6-anilino-N-butylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-anilino-N-butylpyridazine-3-carboxamide
PubChem CID109110857
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name6-anilino-N-butylpyridazine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(Nc2ccccc2)nn1
InChIInChI=1S/C15H18N4O/c1-2-3-11-16-15(20)13-9-10-14(19-18-13)17-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3,(H,16,20)(H,17,19)
InChIKeyWIWJFIHOVHFNNU-UHFFFAOYSA-N
XLogP2.75
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-anilino-N-butylpyridazine-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-butyl-6-(4-cyanoanilino)pyridazine-3-carboxamide
CID 109110955
N-butyl-6-(4-ethoxyanilino)pyridazine-3-carboxamide
CID 109110899
N-pentyl-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109125492
6-(3-bromo-4-methylanilino)-N-butylpyridazine-3-carboxamide
CID 109110894
6-anilino-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111240
N-butyl-6-(3-chloro-4-fluoroanilino)pyridazine-3-carboxamide
CID 109110889
N-[3-(dimethylamino)propyl]-6-(4-phenoxyanilino)pyridazine-3-carboxamide
CID 109116087
6-(4-acetylanilino)-N-propylpyridazine-3-carboxamide
CID 109109344
N-butyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109110791
6-(2-methoxyanilino)-N-pentylpyridazine-3-carboxamide
CID 109125507
6-(4-acetamidoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121699
6-(3,5-dimethylanilino)-N-propylpyridazine-3-carboxamide
CID 109109300

Frequently Asked Questions

What is the IUPAC name of 6-anilino-N-butylpyridazine-3-carboxamide?
The IUPAC name of 6-anilino-N-butylpyridazine-3-carboxamide (CID 109110857) is 6-anilino-N-butylpyridazine-3-carboxamide.
What is the SMILES notation for 6-anilino-N-butylpyridazine-3-carboxamide?
The canonical SMILES for 6-anilino-N-butylpyridazine-3-carboxamide is CCCCNC(=O)c1ccc(Nc2ccccc2)nn1.
What is the InChIKey of 6-anilino-N-butylpyridazine-3-carboxamide?
The InChIKey is WIWJFIHOVHFNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-3-11-16-15(20)13-9-10-14(19-18-13)17-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3,(H,16,20)(H,17,19).
What are the key properties of 6-anilino-N-butylpyridazine-3-carboxamide?
6-anilino-N-butylpyridazine-3-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-N-butylpyridazine-3-carboxamide is sourced from PubChem (CID 109110857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).