6-(3-chloroanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide

C16H19ClN4O — CID 109125292

IUPAC6-(3-chloroanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(Nc2cccc(Cl)c2)nn1
InChIInChI=1S/C16H19ClN4O/c1-11(2)8-9-18-16(22)14-6-7-15(21-20-14)19-13-5-3-4-12(17)10-13/h3-7,10-11H,8-9H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyAAJNDSBSKPZONM-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.65
Rot. Bonds6

About 6-(3-chloroanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide

6-(3-chloroanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide (PubChem CID 109125292) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 6-(3-chloroanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-chloroanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide
PubChem CID109125292
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name6-(3-chloroanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(Nc2cccc(Cl)c2)nn1
InChIInChI=1S/C16H19ClN4O/c1-11(2)8-9-18-16(22)14-6-7-15(21-20-14)19-13-5-3-4-12(17)10-13/h3-7,10-11H,8-9H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyAAJNDSBSKPZONM-UHFFFAOYSA-N
XLogP3.65
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(3-chloroanilino)-N-(3-methylbutyl)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-butan-2-yl-6-(3-chloroanilino)pyridazine-3-carboxamide
CID 109111648
N-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide
CID 109128669
6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120311
6-hydrazinyl-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 62237645
N-[2-(3-chlorophenyl)ethyl]-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109126338
6-(2-bromoanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109125333
6-(3-bromoanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111313
6-anilino-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111240
methyl 3-[[6-(2-methylpropylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109111297
6-(3-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114048
6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide
CID 109125155
6-(3,4-difluoroanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111343

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloroanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(3-chloroanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide (CID 109125292) is 6-(3-chloroanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-chloroanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-chloroanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide is CC(C)CCNC(=O)c1ccc(Nc2cccc(Cl)c2)nn1.
What is the InChIKey of 6-(3-chloroanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide?
The InChIKey is AAJNDSBSKPZONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-11(2)8-9-18-16(22)14-6-7-15(21-20-14)19-13-5-3-4-12(17)10-13/h3-7,10-11H,8-9H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of 6-(3-chloroanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide?
6-(3-chloroanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloroanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109125292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).