N-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-ethylpyridazine-3-carboxamide

C19H30N6O3S — CID 153443793

IUPACN-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-ethylpyridazine-3-carboxamide
SMILESCCc1cnnc(C(=O)NC2CC3CCC(C2)N3S(=O)(=O)N2CCC(N)CC2)c1
InChIInChI=1S/C19H30N6O3S/c1-2-13-9-18(23-21-12-13)19(26)22-15-10-16-3-4-17(11-15)25(16)29(27,28)24-7-5-14(20)6-8-24/h9,12,14-17H,2-8,10-11,20H2,1H3,(H,22,26)
InChIKeyHHGYUHZOYSOMMB-UHFFFAOYSA-N
MW422.56 g/mol
LogP0.43
Rot. Bonds5

About N-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-ethylpyridazine-3-carboxamide

N-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-ethylpyridazine-3-carboxamide (PubChem CID 153443793) has the molecular formula C19H30N6O3S and a molecular weight of 422.56 g/mol. Its IUPAC name is N-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-ethylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-ethylpyridazine-3-carboxamide
PubChem CID153443793
Molecular FormulaC19H30N6O3S
Molecular Weight422.56 g/mol
Exact Mass422.21
IUPAC NameN-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-ethylpyridazine-3-carboxamide
SMILESCCc1cnnc(C(=O)NC2CC3CCC(C2)N3S(=O)(=O)N2CCC(N)CC2)c1
InChIInChI=1S/C19H30N6O3S/c1-2-13-9-18(23-21-12-13)19(26)22-15-10-16-3-4-17(11-15)25(16)29(27,28)24-7-5-14(20)6-8-24/h9,12,14-17H,2-8,10-11,20H2,1H3,(H,22,26)
InChIKeyHHGYUHZOYSOMMB-UHFFFAOYSA-N
XLogP0.43
TPSA121.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-ethylpyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide
CID 153443796
N-[(1S,5R)-8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-6-fluoro-2-oxo-1,3-dihydroindole-5-carboxamide
CID 127045843
5-cyclopropyl-N-[(1R,5S)-8-[4-(5,5,5-trifluoropentyl)piperidin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide
CID 148576255
tert-butyl N-[1-[[(1R,5S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]piperidin-4-yl]carbamate
CID 118947331
N-[(1S,5R)-8-(8-azaspiro[4.5]decan-8-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 161049537
5-ethyl-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide
CID 118947287
N-[(1S,5S)-8-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide
CID 177148687
N-[8-[[3-(2-hydroxyethylamino)-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide
CID 177148443
N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxamide
CID 99987360
N-[(1R,5S)-8-[(2-iodo-2,7-diazaspiro[3.4]octan-7-yl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide
CID 177148490
8-pyrrolidin-1-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233695
N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-phenylpropanamide
CID 99987386

Frequently Asked Questions

What is the IUPAC name of N-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-ethylpyridazine-3-carboxamide?
The IUPAC name of N-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-ethylpyridazine-3-carboxamide (CID 153443793) is N-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-ethylpyridazine-3-carboxamide.
What is the SMILES notation for N-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-ethylpyridazine-3-carboxamide?
The canonical SMILES for N-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-ethylpyridazine-3-carboxamide is CCc1cnnc(C(=O)NC2CC3CCC(C2)N3S(=O)(=O)N2CCC(N)CC2)c1.
What is the InChIKey of N-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-ethylpyridazine-3-carboxamide?
The InChIKey is HHGYUHZOYSOMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O3S/c1-2-13-9-18(23-21-12-13)19(26)22-15-10-16-3-4-17(11-15)25(16)29(27,28)24-7-5-14(20)6-8-24/h9,12,14-17H,2-8,10-11,20H2,1H3,(H,22,26).
What are the key properties of N-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-ethylpyridazine-3-carboxamide?
N-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-ethylpyridazine-3-carboxamide has a molecular weight of 422.56 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-ethylpyridazine-3-carboxamide is sourced from PubChem (CID 153443793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).