(4S)-2-(pyridine-4-carbonyl)-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide

C21H25N3O2S — CID 95107023

IUPAC(4S)-2-(pyridine-4-carbonyl)-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCc1cccs1)[C@@H]1CN(C(=O)c2ccncc2)CC12CCCCC2
InChIInChI=1S/C21H25N3O2S/c25-19(23-13-17-5-4-12-27-17)18-14-24(15-21(18)8-2-1-3-9-21)20(26)16-6-10-22-11-7-16/h4-7,10-12,18H,1-3,8-9,13-15H2,(H,23,25)/t18-/m0/s1
InChIKeyLBWFOQBEHLBYGM-SFHVURJKSA-N
MW383.52 g/mol
LogP3.48
Rot. Bonds4

About (4S)-2-(pyridine-4-carbonyl)-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide

(4S)-2-(pyridine-4-carbonyl)-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 95107023) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is (4S)-2-(pyridine-4-carbonyl)-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name(4S)-2-(pyridine-4-carbonyl)-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID95107023
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name(4S)-2-(pyridine-4-carbonyl)-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCc1cccs1)[C@@H]1CN(C(=O)c2ccncc2)CC12CCCCC2
InChIInChI=1S/C21H25N3O2S/c25-19(23-13-17-5-4-12-27-17)18-14-24(15-21(18)8-2-1-3-9-21)20(26)16-6-10-22-11-7-16/h4-7,10-12,18H,1-3,8-9,13-15H2,(H,23,25)/t18-/m0/s1
InChIKeyLBWFOQBEHLBYGM-SFHVURJKSA-N
XLogP3.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(pyridine-4-carbonyl)-N-(2-thiophen-2-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53184624
2-(4-methoxybenzoyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 134077654
2-pyridin-3-ylsulfonyl-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53183516
N-(2-ethylphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 71836981
2-(5-methylfuran-2-carbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 134078020
5-(4-chlorobenzoyl)-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131662437
(4R)-2-benzoyl-N-[(5-methylfuran-2-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide
CID 95106950
methyl 3-[(2-benzoyl-2-azaspiro[4.5]decane-4-carbonyl)amino]propanoate
CID 53184577
N-(2-pyrrolidin-1-ylethyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53184682
6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 154579532
N-(3-pyrazol-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53184696
N-(4-ethoxyphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 71836987

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(pyridine-4-carbonyl)-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of (4S)-2-(pyridine-4-carbonyl)-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide (CID 95107023) is (4S)-2-(pyridine-4-carbonyl)-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for (4S)-2-(pyridine-4-carbonyl)-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for (4S)-2-(pyridine-4-carbonyl)-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide is O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2ccncc2)CC12CCCCC2.
What is the InChIKey of (4S)-2-(pyridine-4-carbonyl)-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is LBWFOQBEHLBYGM-SFHVURJKSA-N. The full InChI is InChI=1S/C21H25N3O2S/c25-19(23-13-17-5-4-12-27-17)18-14-24(15-21(18)8-2-1-3-9-21)20(26)16-6-10-22-11-7-16/h4-7,10-12,18H,1-3,8-9,13-15H2,(H,23,25)/t18-/m0/s1.
What are the key properties of (4S)-2-(pyridine-4-carbonyl)-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide?
(4S)-2-(pyridine-4-carbonyl)-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(pyridine-4-carbonyl)-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 95107023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).