N-(4-cyclopentylsulfanylphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

C19H23N3O3S — CID 37400276

IUPACN-(4-cyclopentylsulfanylphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)Nc2ccc(SC3CCCC3)cc2)ccc1=O
InChIInChI=1S/C19H23N3O3S/c1-25-13-12-22-18(23)11-10-17(21-22)19(24)20-14-6-8-16(9-7-14)26-15-4-2-3-5-15/h6-11,15H,2-5,12-13H2,1H3,(H,20,24)
InChIKeyBOTFPGSSUANTFB-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.18
Rot. Bonds7

About N-(4-cyclopentylsulfanylphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

N-(4-cyclopentylsulfanylphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 37400276) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(4-cyclopentylsulfanylphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopentylsulfanylphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
PubChem CID37400276
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-(4-cyclopentylsulfanylphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)Nc2ccc(SC3CCCC3)cc2)ccc1=O
InChIInChI=1S/C19H23N3O3S/c1-25-13-12-22-18(23)11-10-17(21-22)19(24)20-14-6-8-16(9-7-14)26-15-4-2-3-5-15/h6-11,15H,2-5,12-13H2,1H3,(H,20,24)
InChIKeyBOTFPGSSUANTFB-UHFFFAOYSA-N
XLogP3.18
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyclopentylsulfanylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 55599425
1-(2-methoxyethyl)-N-(4-methylsulfanylphenyl)-6-oxopyridazine-3-carboxamide
CID 31796636
N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 36676962
1-(2-methoxyethyl)-6-oxo-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 35019256
1-(2-methoxyethyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 33238572
N-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 24537228
N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 126771557
N-[4-(benzimidazol-1-yl)phenyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 24512638
1-butyl-N-(2-cyclopentylsulfanylphenyl)-6-oxopyridazine-3-carboxamide
CID 32559088
1-(2-methoxyethyl)-6-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridazine-3-carboxamide
CID 46410564
1-(2-methoxyethyl)-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 38713115
2-(2-methoxyethyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 47020029

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylsulfanylphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(4-cyclopentylsulfanylphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (CID 37400276) is N-(4-cyclopentylsulfanylphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(4-cyclopentylsulfanylphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(4-cyclopentylsulfanylphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is COCCn1nc(C(=O)Nc2ccc(SC3CCCC3)cc2)ccc1=O.
What is the InChIKey of N-(4-cyclopentylsulfanylphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is BOTFPGSSUANTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-25-13-12-22-18(23)11-10-17(21-22)19(24)20-14-6-8-16(9-7-14)26-15-4-2-3-5-15/h6-11,15H,2-5,12-13H2,1H3,(H,20,24).
What are the key properties of N-(4-cyclopentylsulfanylphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
N-(4-cyclopentylsulfanylphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylsulfanylphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 37400276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).