N-(2-pyridin-2-ylethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide

C22H28N4O3S — CID 53183512

IUPACN-(2-pyridin-2-ylethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCCc1ccccn1)C1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2
InChIInChI=1S/C22H28N4O3S/c27-21(25-14-9-18-7-2-5-13-24-18)20-16-26(17-22(20)10-3-1-4-11-22)30(28,29)19-8-6-12-23-15-19/h2,5-8,12-13,15,20H,1,3-4,9-11,14,16-17H2,(H,25,27)
InChIKeyONHHRVFUHYYLJL-UHFFFAOYSA-N
MW428.56 g/mol
LogP2.41
Rot. Bonds6

About N-(2-pyridin-2-ylethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide

N-(2-pyridin-2-ylethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 53183512) has the molecular formula C22H28N4O3S and a molecular weight of 428.56 g/mol. Its IUPAC name is N-(2-pyridin-2-ylethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-2-ylethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID53183512
Molecular FormulaC22H28N4O3S
Molecular Weight428.56 g/mol
Exact Mass428.19
IUPAC NameN-(2-pyridin-2-ylethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCCc1ccccn1)C1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2
InChIInChI=1S/C22H28N4O3S/c27-21(25-14-9-18-7-2-5-13-24-18)20-16-26(17-22(20)10-3-1-4-11-22)30(28,29)19-8-6-12-23-15-19/h2,5-8,12-13,15,20H,1,3-4,9-11,14,16-17H2,(H,25,27)
InChIKeyONHHRVFUHYYLJL-UHFFFAOYSA-N
XLogP2.41
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide
CID 2228455
3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
CID 3161025
4-(5-oxopyrrolidin-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 3888077
N-(3-{4-[Cyano-(2-methyl-pyridin-3-yl)-methyl]-piperazin-1-yl}-3-oxo-1-phenyl-propyl)-benzenesulfonamide
CID 14960366
N-(Pyridin-3-ylmethyl)-1-tosylpiperidine-4-carboxamide
CID 1077698
3-{4-[(isobutylamino)sulfonyl]phenyl}-N-(3-pyridinylmethyl)propanamide
CID 1211089
3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 2537367
1-(phenylsulfonyl)-N-(3-pyridinylmethyl)-3-piperidinecarboxamide
CID 2974262
1-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 2976301
N-(pyridin-3-ylmethyl)-1-(pyridin-3-ylsulfonyl)piperidine-4-carboxamide
CID 3242213
N-(4-fluorobenzyl)-1-(pyridin-3-ylsulfonyl)piperidine-3-carboxamide
CID 3242560
N-(2-phenylethyl)-1-(pyridin-3-ylsulfonyl)piperidine-3-carboxamide
CID 3242851

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-ylethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-(2-pyridin-2-ylethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide (CID 53183512) is N-(2-pyridin-2-ylethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-(2-pyridin-2-ylethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-(2-pyridin-2-ylethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide is O=C(NCCc1ccccn1)C1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2.
What is the InChIKey of N-(2-pyridin-2-ylethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is ONHHRVFUHYYLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3S/c27-21(25-14-9-18-7-2-5-13-24-18)20-16-26(17-22(20)10-3-1-4-11-22)30(28,29)19-8-6-12-23-15-19/h2,5-8,12-13,15,20H,1,3-4,9-11,14,16-17H2,(H,25,27).
What are the key properties of N-(2-pyridin-2-ylethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
N-(2-pyridin-2-ylethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 428.56 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-ylethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 53183512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).