N-(4-cyclopentylsulfanylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide

C19H23N3O2S — CID 55599425

IUPACN-(4-cyclopentylsulfanylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc(SC3CCCC3)cc2)ccc1=O
InChIInChI=1S/C19H23N3O2S/c1-2-13-22-18(23)12-11-17(21-22)19(24)20-14-7-9-16(10-8-14)25-15-5-3-4-6-15/h7-12,15H,2-6,13H2,1H3,(H,20,24)
InChIKeySTIYOJBZBBZVOH-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.94
Rot. Bonds6

About N-(4-cyclopentylsulfanylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide

N-(4-cyclopentylsulfanylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 55599425) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(4-cyclopentylsulfanylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopentylsulfanylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID55599425
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-(4-cyclopentylsulfanylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc(SC3CCCC3)cc2)ccc1=O
InChIInChI=1S/C19H23N3O2S/c1-2-13-22-18(23)12-11-17(21-22)19(24)20-14-7-9-16(10-8-14)25-15-5-3-4-6-15/h7-12,15H,2-6,13H2,1H3,(H,20,24)
InChIKeySTIYOJBZBBZVOH-UHFFFAOYSA-N
XLogP3.94
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-cyclopentylsulfanylphenyl)-6-oxo-1-propylpyridazine-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-(4-cyclopentylsulfanylphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 37400276
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 31305119
1-butyl-N-(2-cyclopentylsulfanylphenyl)-6-oxopyridazine-3-carboxamide
CID 32559088
N-cyclooctyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 39724166
N-(2-cyclopentyl-2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 111426020
N-(6-methoxy-3-pyridinyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 18107814
1-(2-methoxyethyl)-N-(4-methylsulfanylphenyl)-6-oxopyridazine-3-carboxamide
CID 31796636
1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 38166467
N-(4-methylcyclohexyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 2541694
1-butyl-6-oxo-N-[4-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55527707
1-[3-(cyclopentylamino)-3-oxopropyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 53065911
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 30133849

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylsulfanylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-(4-cyclopentylsulfanylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide (CID 55599425) is N-(4-cyclopentylsulfanylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-(4-cyclopentylsulfanylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-(4-cyclopentylsulfanylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2ccc(SC3CCCC3)cc2)ccc1=O.
What is the InChIKey of N-(4-cyclopentylsulfanylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is STIYOJBZBBZVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-2-13-22-18(23)12-11-17(21-22)19(24)20-14-7-9-16(10-8-14)25-15-5-3-4-6-15/h7-12,15H,2-6,13H2,1H3,(H,20,24).
What are the key properties of N-(4-cyclopentylsulfanylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide?
N-(4-cyclopentylsulfanylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylsulfanylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 55599425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).