1-butyl-N-(2-cyclopentylsulfanylphenyl)-6-oxopyridazine-3-carboxamide

C20H25N3O2S — CID 32559088

IUPAC1-butyl-N-(2-cyclopentylsulfanylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2ccccc2SC2CCCC2)ccc1=O
InChIInChI=1S/C20H25N3O2S/c1-2-3-14-23-19(24)13-12-17(22-23)20(25)21-16-10-6-7-11-18(16)26-15-8-4-5-9-15/h6-7,10-13,15H,2-5,8-9,14H2,1H3,(H,21,25)
InChIKeyBOMBXBNVXNHZLX-UHFFFAOYSA-N
MW371.51 g/mol
LogP4.33
Rot. Bonds7

About 1-butyl-N-(2-cyclopentylsulfanylphenyl)-6-oxopyridazine-3-carboxamide

1-butyl-N-(2-cyclopentylsulfanylphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 32559088) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 1-butyl-N-(2-cyclopentylsulfanylphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(2-cyclopentylsulfanylphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID32559088
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name1-butyl-N-(2-cyclopentylsulfanylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2ccccc2SC2CCCC2)ccc1=O
InChIInChI=1S/C20H25N3O2S/c1-2-3-14-23-19(24)13-12-17(22-23)20(25)21-16-10-6-7-11-18(16)26-15-8-4-5-9-15/h6-7,10-13,15H,2-5,8-9,14H2,1H3,(H,21,25)
InChIKeyBOMBXBNVXNHZLX-UHFFFAOYSA-N
XLogP4.33
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide
CID 25474489
N-(4-cyclopentylsulfanylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 55599425
1-butyl-6-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyridazine-3-carboxamide
CID 35275786
N-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 134019234
1-butyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide
CID 42161985
1-butyl-N-(2-imidazol-1-ylphenyl)-6-oxopyridazine-3-carboxamide
CID 47025477
1-butyl-6-oxo-N-[4-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55527707
1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 38166467
1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide
CID 42162037
N-(4-cyclopentylsulfanylphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 37400276
1-butyl-N-(2,4-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 42161972
1-butyl-N-(2-chloro-4-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 55677510

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2-cyclopentylsulfanylphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-(2-cyclopentylsulfanylphenyl)-6-oxopyridazine-3-carboxamide (CID 32559088) is 1-butyl-N-(2-cyclopentylsulfanylphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(2-cyclopentylsulfanylphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(2-cyclopentylsulfanylphenyl)-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)Nc2ccccc2SC2CCCC2)ccc1=O.
What is the InChIKey of 1-butyl-N-(2-cyclopentylsulfanylphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is BOMBXBNVXNHZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-2-3-14-23-19(24)13-12-17(22-23)20(25)21-16-10-6-7-11-18(16)26-15-8-4-5-9-15/h6-7,10-13,15H,2-5,8-9,14H2,1H3,(H,21,25).
What are the key properties of 1-butyl-N-(2-cyclopentylsulfanylphenyl)-6-oxopyridazine-3-carboxamide?
1-butyl-N-(2-cyclopentylsulfanylphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2-cyclopentylsulfanylphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 32559088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).