N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide

C19H23N5O4S — CID 51956830

IUPACN-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc(S(=O)(=O)N=C3CCCN3C)cc2)ccc1=O
InChIInChI=1S/C19H23N5O4S/c1-3-12-24-18(25)11-10-16(21-24)19(26)20-14-6-8-15(9-7-14)29(27,28)22-17-5-4-13-23(17)2/h6-11H,3-5,12-13H2,1-2H3,(H,20,26)
InChIKeyVPMVENCHXGSJMS-UHFFFAOYSA-N
MW417.49 g/mol
LogP1.72
Rot. Bonds6

About N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 51956830) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID51956830
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC NameN-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc(S(=O)(=O)N=C3CCCN3C)cc2)ccc1=O
InChIInChI=1S/C19H23N5O4S/c1-3-12-24-18(25)11-10-16(21-24)19(26)20-14-6-8-15(9-7-14)29(27,28)22-17-5-4-13-23(17)2/h6-11H,3-5,12-13H2,1-2H3,(H,20,26)
InChIKeyVPMVENCHXGSJMS-UHFFFAOYSA-N
XLogP1.72
TPSA113.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-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

4-acetamido-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]benzamide
CID 51956793
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 31305119
4-(methoxymethyl)-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]benzamide
CID 51956848
2-chloro-4,5-difluoro-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]benzamide
CID 51956833
2-[ethyl(methyl)amino]-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-2-phenylacetamide
CID 56583095
5,7-dimethyl-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 51956843
N-[4-[(1-methylazepan-2-ylidene)amino]sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 52506063
1-tert-butyl-3-cyclopropyl-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]pyrazole-5-carboxamide
CID 55801763
4-methoxy-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]butanamide
CID 55801729
N-[4-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60558045
2-chloro-4-fluoro-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]benzamide
CID 51956837
methyl 5-[[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]carbamoyl]thiophene-2-carboxylate
CID 55968077

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 51956830) is N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2ccc(S(=O)(=O)N=C3CCCN3C)cc2)ccc1=O.
What is the InChIKey of N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is VPMVENCHXGSJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-3-12-24-18(25)11-10-16(21-24)19(26)20-14-6-8-15(9-7-14)29(27,28)22-17-5-4-13-23(17)2/h6-11H,3-5,12-13H2,1-2H3,(H,20,26).
What are the key properties of N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 51956830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).