N-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C16H19N3O4S — CID 110793132

IUPACN-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)=NN1
InChIInChI=1S/C16H19N3O4S/c20-15-10-9-14(18-19-15)16(21)17-11-5-7-13(8-6-11)24(22,23)12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,17,21)(H,19,20)
InChIKeyPPAPVOKWFFZFQI-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.61
Rot. Bonds4

About N-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 110793132) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID110793132
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)=NN1
InChIInChI=1S/C16H19N3O4S/c20-15-10-9-14(18-19-15)16(21)17-11-5-7-13(8-6-11)24(22,23)12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,17,21)(H,19,20)
InChIKeyPPAPVOKWFFZFQI-UHFFFAOYSA-N
XLogP1.61
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60638334
N-(4-cyclopentylsulfonylphenyl)pyrazine-2-carboxamide
CID 39179415
N-(4-cyclopentylphenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467879
N-(3-bromo-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60730194
N-(3-chloro-4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 4539970
N-[4-(1H-imidazol-5-yl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60666303
6-oxo-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 108744634
N-(4-cyclopentylsulfonylphenyl)butanamide
CID 110778666
6-oxo-N-(3-pyrrolidin-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60934157
N-(4-cyclopentylsulfonylphenyl)-4-oxochromene-2-carboxamide
CID 47026428
N-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110745714
N-(2-cyclopentylethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60734317

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 110793132) is N-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)=NN1.
What is the InChIKey of N-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is PPAPVOKWFFZFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c20-15-10-9-14(18-19-15)16(21)17-11-5-7-13(8-6-11)24(22,23)12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,17,21)(H,19,20).
What are the key properties of N-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110793132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).