N-(azocan-1-ylsulfonyl)-6-cyclopropyl-5-methoxypyridazine-3-carboxamide

C16H24N4O4S — CID 167745234

IUPACN-(azocan-1-ylsulfonyl)-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
SMILESCOc1cc(C(=O)NS(=O)(=O)N2CCCCCCC2)nnc1C1CC1
InChIInChI=1S/C16H24N4O4S/c1-24-14-11-13(17-18-15(14)12-7-8-12)16(21)19-25(22,23)20-9-5-3-2-4-6-10-20/h11-12H,2-10H2,1H3,(H,19,21)
InChIKeyZNYAVISYXZFGKZ-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.60
Rot. Bonds5

About N-(azocan-1-ylsulfonyl)-6-cyclopropyl-5-methoxypyridazine-3-carboxamide

N-(azocan-1-ylsulfonyl)-6-cyclopropyl-5-methoxypyridazine-3-carboxamide (PubChem CID 167745234) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(azocan-1-ylsulfonyl)-6-cyclopropyl-5-methoxypyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(azocan-1-ylsulfonyl)-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
PubChem CID167745234
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC NameN-(azocan-1-ylsulfonyl)-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
SMILESCOc1cc(C(=O)NS(=O)(=O)N2CCCCCCC2)nnc1C1CC1
InChIInChI=1S/C16H24N4O4S/c1-24-14-11-13(17-18-15(14)12-7-8-12)16(21)19-25(22,23)20-9-5-3-2-4-6-10-20/h11-12H,2-10H2,1H3,(H,19,21)
InChIKeyZNYAVISYXZFGKZ-UHFFFAOYSA-N
XLogP1.60
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.60
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
6-cyclopropyl-N-(2-ethylbutylsulfonyl)-5-methoxypyridazine-3-carboxamide
CID 167963220
6-cyclopropyl-5-methoxy-N-(3-methylphenyl)sulfonylpyridazine-3-carboxamide
CID 167893554
N-[(5-bromo-2-pyridinyl)sulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
CID 166350578
3-methoxy-4-methyl-N-piperidin-1-ylsulfonylbenzamide
CID 60565196
6-cyclopropyl-N-[1-(2,4-difluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide
CID 167882154
N-(4-amino-2-methoxyphenyl)piperidine-1-sulfonamide
CID 28783407
N-piperidin-1-ylsulfonylacetamide
CID 59405916
2-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)acetamide
CID 110287567
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 6490713
1-[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
CID 26337547
methyl 2-(piperidin-1-ylsulfonylamino)propanoate
CID 60723843

Frequently Asked Questions

What is the IUPAC name of N-(azocan-1-ylsulfonyl)-6-cyclopropyl-5-methoxypyridazine-3-carboxamide?
The IUPAC name of N-(azocan-1-ylsulfonyl)-6-cyclopropyl-5-methoxypyridazine-3-carboxamide (CID 167745234) is N-(azocan-1-ylsulfonyl)-6-cyclopropyl-5-methoxypyridazine-3-carboxamide.
What is the SMILES notation for N-(azocan-1-ylsulfonyl)-6-cyclopropyl-5-methoxypyridazine-3-carboxamide?
The canonical SMILES for N-(azocan-1-ylsulfonyl)-6-cyclopropyl-5-methoxypyridazine-3-carboxamide is COc1cc(C(=O)NS(=O)(=O)N2CCCCCCC2)nnc1C1CC1.
What is the InChIKey of N-(azocan-1-ylsulfonyl)-6-cyclopropyl-5-methoxypyridazine-3-carboxamide?
The InChIKey is ZNYAVISYXZFGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-24-14-11-13(17-18-15(14)12-7-8-12)16(21)19-25(22,23)20-9-5-3-2-4-6-10-20/h11-12H,2-10H2,1H3,(H,19,21).
What are the key properties of N-(azocan-1-ylsulfonyl)-6-cyclopropyl-5-methoxypyridazine-3-carboxamide?
N-(azocan-1-ylsulfonyl)-6-cyclopropyl-5-methoxypyridazine-3-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azocan-1-ylsulfonyl)-6-cyclopropyl-5-methoxypyridazine-3-carboxamide is sourced from PubChem (CID 167745234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).