6-cyclopropyl-N-(2-ethylbutylsulfonyl)-5-methoxypyridazine-3-carboxamide

C15H23N3O4S — CID 167963220

IUPAC6-cyclopropyl-N-(2-ethylbutylsulfonyl)-5-methoxypyridazine-3-carboxamide
SMILESCCC(CC)CS(=O)(=O)NC(=O)c1cc(OC)c(C2CC2)nn1
InChIInChI=1S/C15H23N3O4S/c1-4-10(5-2)9-23(20,21)18-15(19)12-8-13(22-3)14(17-16-12)11-6-7-11/h8,10-11H,4-7,9H2,1-3H3,(H,18,19)
InChIKeyCKFISJKTCRAWDZ-UHFFFAOYSA-N
MW341.43 g/mol
LogP1.86
Rot. Bonds8

About 6-cyclopropyl-N-(2-ethylbutylsulfonyl)-5-methoxypyridazine-3-carboxamide

6-cyclopropyl-N-(2-ethylbutylsulfonyl)-5-methoxypyridazine-3-carboxamide (PubChem CID 167963220) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 6-cyclopropyl-N-(2-ethylbutylsulfonyl)-5-methoxypyridazine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(2-ethylbutylsulfonyl)-5-methoxypyridazine-3-carboxamide
PubChem CID167963220
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name6-cyclopropyl-N-(2-ethylbutylsulfonyl)-5-methoxypyridazine-3-carboxamide
SMILESCCC(CC)CS(=O)(=O)NC(=O)c1cc(OC)c(C2CC2)nn1
InChIInChI=1S/C15H23N3O4S/c1-4-10(5-2)9-23(20,21)18-15(19)12-8-13(22-3)14(17-16-12)11-6-7-11/h8,10-11H,4-7,9H2,1-3H3,(H,18,19)
InChIKeyCKFISJKTCRAWDZ-UHFFFAOYSA-N
XLogP1.86
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-5-methoxy-N-(2-methylpropylsulfonyl)pyridazine-3-carboxamide
CID 167876172
N-benzylsulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
CID 167816660
N-[2-(2-chlorophenyl)ethylsulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
CID 167983030
6-cyclopropyl-N-(2,6-dimethylphenyl)sulfonyl-5-methoxypyridazine-3-carboxamide
CID 167770853
N-(azocan-1-ylsulfonyl)-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
CID 167745234
6-cyclopropyl-N-[2-(3-fluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide
CID 167989811
6-cyclopropyl-5-methoxy-N-(3-methylphenyl)sulfonylpyridazine-3-carboxamide
CID 167893554
N-(5-chloro-2-methylphenyl)sulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
CID 167943272
N-[(5-bromo-2-pyridinyl)sulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
CID 166350578
6-cyclopropyl-N-[1-(2,4-difluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide
CID 167882154
5-ethoxy-N-hydroxy-4-methoxypyridine-2-carboxamide
CID 175442250
6-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 113200156

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(2-ethylbutylsulfonyl)-5-methoxypyridazine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(2-ethylbutylsulfonyl)-5-methoxypyridazine-3-carboxamide (CID 167963220) is 6-cyclopropyl-N-(2-ethylbutylsulfonyl)-5-methoxypyridazine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(2-ethylbutylsulfonyl)-5-methoxypyridazine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(2-ethylbutylsulfonyl)-5-methoxypyridazine-3-carboxamide is CCC(CC)CS(=O)(=O)NC(=O)c1cc(OC)c(C2CC2)nn1.
What is the InChIKey of 6-cyclopropyl-N-(2-ethylbutylsulfonyl)-5-methoxypyridazine-3-carboxamide?
The InChIKey is CKFISJKTCRAWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-4-10(5-2)9-23(20,21)18-15(19)12-8-13(22-3)14(17-16-12)11-6-7-11/h8,10-11H,4-7,9H2,1-3H3,(H,18,19).
What are the key properties of 6-cyclopropyl-N-(2-ethylbutylsulfonyl)-5-methoxypyridazine-3-carboxamide?
6-cyclopropyl-N-(2-ethylbutylsulfonyl)-5-methoxypyridazine-3-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(2-ethylbutylsulfonyl)-5-methoxypyridazine-3-carboxamide is sourced from PubChem (CID 167963220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).