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

C21H26N4O3S — CID 53183498

IUPACN-(pyridin-3-ylmethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2
InChIInChI=1S/C21H26N4O3S/c26-20(24-13-17-6-4-10-22-12-17)19-15-25(16-21(19)8-2-1-3-9-21)29(27,28)18-7-5-11-23-14-18/h4-7,10-12,14,19H,1-3,8-9,13,15-16H2,(H,24,26)
InChIKeyYVIODHCSCRSEPV-UHFFFAOYSA-N
MW414.53 g/mol
LogP2.36
Rot. Bonds5

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

N-(pyridin-3-ylmethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 53183498) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID53183498
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC NameN-(pyridin-3-ylmethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2
InChIInChI=1S/C21H26N4O3S/c26-20(24-13-17-6-4-10-22-12-17)19-15-25(16-21(19)8-2-1-3-9-21)29(27,28)18-7-5-11-23-14-18/h4-7,10-12,14,19H,1-3,8-9,13,15-16H2,(H,24,26)
InChIKeyYVIODHCSCRSEPV-UHFFFAOYSA-N
XLogP2.36
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
CID 3161025
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CID 3888077
N-Pyridin-3-ylmethyl-3-(pyrrolidine-1-sulfonyl)-benzamide
CID 683251
3-[4-(propan-2-ylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide
CID 1006973
N-(Pyridin-3-ylmethyl)-1-tosylpiperidine-4-carboxamide
CID 1077698
3-{4-[(isobutylamino)sulfonyl]phenyl}-N-(3-pyridinylmethyl)propanamide
CID 1211089
1-(benzylsulfonyl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 1444961
4-[(4-methyl-1-piperidinyl)sulfonyl]-N-(3-pyridinylmethyl)benzamide
CID 2441890
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

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide (CID 53183498) is N-(pyridin-3-ylmethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide is O=C(NCc1cccnc1)C1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is YVIODHCSCRSEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c26-20(24-13-17-6-4-10-22-12-17)19-15-25(16-21(19)8-2-1-3-9-21)29(27,28)18-7-5-11-23-14-18/h4-7,10-12,14,19H,1-3,8-9,13,15-16H2,(H,24,26).
What are the key properties of N-(pyridin-3-ylmethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
N-(pyridin-3-ylmethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 53183498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).