N-(pyridin-3-ylmethyl)-6-quinolin-8-ylsulfonyl-6-azaspiro[3.4]octane-8-carboxamide

C23H24N4O3S — CID 155880452

IUPACN-(pyridin-3-ylmethyl)-6-quinolin-8-ylsulfonyl-6-azaspiro[3.4]octane-8-carboxamide
SMILESO=C(NCc1cccnc1)C1CN(S(=O)(=O)c2cccc3cccnc23)CC12CCC2
InChIInChI=1S/C23H24N4O3S/c28-22(26-14-17-5-2-11-24-13-17)19-15-27(16-23(19)9-4-10-23)31(29,30)20-8-1-6-18-7-3-12-25-21(18)20/h1-3,5-8,11-13,19H,4,9-10,14-16H2,(H,26,28)
InChIKeyOJVIHVWZDVBTRS-UHFFFAOYSA-N
MW436.54 g/mol
LogP2.74
Rot. Bonds5

About N-(pyridin-3-ylmethyl)-6-quinolin-8-ylsulfonyl-6-azaspiro[3.4]octane-8-carboxamide

N-(pyridin-3-ylmethyl)-6-quinolin-8-ylsulfonyl-6-azaspiro[3.4]octane-8-carboxamide (PubChem CID 155880452) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-6-quinolin-8-ylsulfonyl-6-azaspiro[3.4]octane-8-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-6-quinolin-8-ylsulfonyl-6-azaspiro[3.4]octane-8-carboxamide
PubChem CID155880452
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN-(pyridin-3-ylmethyl)-6-quinolin-8-ylsulfonyl-6-azaspiro[3.4]octane-8-carboxamide
SMILESO=C(NCc1cccnc1)C1CN(S(=O)(=O)c2cccc3cccnc23)CC12CCC2
InChIInChI=1S/C23H24N4O3S/c28-22(26-14-17-5-2-11-24-13-17)19-15-27(16-23(19)9-4-10-23)31(29,30)20-8-1-6-18-7-3-12-25-21(18)20/h1-3,5-8,11-13,19H,4,9-10,14-16H2,(H,26,28)
InChIKeyOJVIHVWZDVBTRS-UHFFFAOYSA-N
XLogP2.74
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-fluoro-2-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 155881374
2-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53183476
2-pyridin-3-ylsulfonyl-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53183516
N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 20876140
(2S,3S)-5-(3-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492643
(4S)-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 95105867
N-(2-piperidin-1-ylethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 53183521
(4R)-N-(3-piperidin-1-ylpropyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 95105953
(4R)-N-benzyl-2-cyclopropylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 95105804
(4S)-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 95105965
N-[(4-chlorophenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 123756072
2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 37172492

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-6-quinolin-8-ylsulfonyl-6-azaspiro[3.4]octane-8-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-6-quinolin-8-ylsulfonyl-6-azaspiro[3.4]octane-8-carboxamide (CID 155880452) is N-(pyridin-3-ylmethyl)-6-quinolin-8-ylsulfonyl-6-azaspiro[3.4]octane-8-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-6-quinolin-8-ylsulfonyl-6-azaspiro[3.4]octane-8-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-6-quinolin-8-ylsulfonyl-6-azaspiro[3.4]octane-8-carboxamide is O=C(NCc1cccnc1)C1CN(S(=O)(=O)c2cccc3cccnc23)CC12CCC2.
What is the InChIKey of N-(pyridin-3-ylmethyl)-6-quinolin-8-ylsulfonyl-6-azaspiro[3.4]octane-8-carboxamide?
The InChIKey is OJVIHVWZDVBTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c28-22(26-14-17-5-2-11-24-13-17)19-15-27(16-23(19)9-4-10-23)31(29,30)20-8-1-6-18-7-3-12-25-21(18)20/h1-3,5-8,11-13,19H,4,9-10,14-16H2,(H,26,28).
What are the key properties of N-(pyridin-3-ylmethyl)-6-quinolin-8-ylsulfonyl-6-azaspiro[3.4]octane-8-carboxamide?
N-(pyridin-3-ylmethyl)-6-quinolin-8-ylsulfonyl-6-azaspiro[3.4]octane-8-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 2.74, 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)-6-quinolin-8-ylsulfonyl-6-azaspiro[3.4]octane-8-carboxamide is sourced from PubChem (CID 155880452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).