N-(2-methylsulfanylphenyl)-6-(propylamino)pyridazine-3-carboxamide

C15H18N4OS — CID 107643067

IUPACN-(2-methylsulfanylphenyl)-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2ccccc2SC)nn1
InChIInChI=1S/C15H18N4OS/c1-3-10-16-14-9-8-12(18-19-14)15(20)17-11-6-4-5-7-13(11)21-2/h4-9H,3,10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeySKFPDXADKILHQX-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.27
Rot. Bonds6

About N-(2-methylsulfanylphenyl)-6-(propylamino)pyridazine-3-carboxamide

N-(2-methylsulfanylphenyl)-6-(propylamino)pyridazine-3-carboxamide (PubChem CID 107643067) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-6-(propylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-6-(propylamino)pyridazine-3-carboxamide
PubChem CID107643067
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-(2-methylsulfanylphenyl)-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2ccccc2SC)nn1
InChIInChI=1S/C15H18N4OS/c1-3-10-16-14-9-8-12(18-19-14)15(20)17-11-6-4-5-7-13(11)21-2/h4-9H,3,10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeySKFPDXADKILHQX-UHFFFAOYSA-N
XLogP3.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-methylsulfanylphenyl)-6-(propylamino)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-iodophenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167021
N-(2-tert-butylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 109109147
N-(2-methylsulfanylphenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107643075
6-(butylamino)-N-(2-chlorophenyl)pyridazine-3-carboxamide
CID 109110690
6-ethoxy-N-(2-methylsulfanylphenyl)pyridazine-3-carboxamide
CID 90509597
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
N-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 109109143
N-(1,3-dimethylpyrazol-4-yl)-6-(propylamino)pyridazine-3-carboxamide
CID 102807260
5-(ethylamino)-N-(2-methylsulfanylphenyl)pyridine-2-carboxamide
CID 107643013
N-(2-tert-butylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125175
N-pentan-2-yl-6-(propylamino)pyridazine-3-carboxamide
CID 62185105
N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167760

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-6-(propylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-6-(propylamino)pyridazine-3-carboxamide (CID 107643067) is N-(2-methylsulfanylphenyl)-6-(propylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-6-(propylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-6-(propylamino)pyridazine-3-carboxamide is CCCNc1ccc(C(=O)Nc2ccccc2SC)nn1.
What is the InChIKey of N-(2-methylsulfanylphenyl)-6-(propylamino)pyridazine-3-carboxamide?
The InChIKey is SKFPDXADKILHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-3-10-16-14-9-8-12(18-19-14)15(20)17-11-6-4-5-7-13(11)21-2/h4-9H,3,10H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-(2-methylsulfanylphenyl)-6-(propylamino)pyridazine-3-carboxamide?
N-(2-methylsulfanylphenyl)-6-(propylamino)pyridazine-3-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-6-(propylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 107643067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).