N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-4-carboxamide

C12H18N4O3S — CID 127667132

IUPACN-(1-ethylsulfonylpiperidin-4-yl)pyridazine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)c2ccnnc2)CC1
InChIInChI=1S/C12H18N4O3S/c1-2-20(18,19)16-7-4-11(5-8-16)15-12(17)10-3-6-13-14-9-10/h3,6,9,11H,2,4-5,7-8H2,1H3,(H,15,17)
InChIKeyDJCAABLGFDZNPE-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.02
Rot. Bonds4

About N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-4-carboxamide

N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-4-carboxamide (PubChem CID 127667132) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylsulfonylpiperidin-4-yl)pyridazine-4-carboxamide
PubChem CID127667132
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC NameN-(1-ethylsulfonylpiperidin-4-yl)pyridazine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)c2ccnnc2)CC1
InChIInChI=1S/C12H18N4O3S/c1-2-20(18,19)16-7-4-11(5-8-16)15-12(17)10-3-6-13-14-9-10/h3,6,9,11H,2,4-5,7-8H2,1H3,(H,15,17)
InChIKeyDJCAABLGFDZNPE-UHFFFAOYSA-N
XLogP0.02
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexylpyridazine-4-carboxamide
CID 112701044
N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 47021102
N-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide
CID 110823002
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridazine-4-carboxamide
CID 104670473
N-(4-aminocyclohexyl)pyridazine-4-carboxamide
CID 104670019
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyridazine-4-carboxamide
CID 91922610
6-chloro-N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-3-carboxamide
CID 61249649
3,5-ditert-butyl-N-(1-ethylsulfonylpiperidin-4-yl)-4-hydroxybenzamide
CID 112812290
N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
CID 47150062
6-bromo-N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 103916664
4-(5-methylpyrazol-1-yl)-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 46455876

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-4-carboxamide?
The IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-4-carboxamide (CID 127667132) is N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-4-carboxamide?
The canonical SMILES for N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-4-carboxamide is CCS(=O)(=O)N1CCC(NC(=O)c2ccnnc2)CC1.
What is the InChIKey of N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-4-carboxamide?
The InChIKey is DJCAABLGFDZNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-2-20(18,19)16-7-4-11(5-8-16)15-12(17)10-3-6-13-14-9-10/h3,6,9,11H,2,4-5,7-8H2,1H3,(H,15,17).
What are the key properties of N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-4-carboxamide?
N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-4-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 127667132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).