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

C22H27N3O2S — CID 53184624

IUPAC2-(pyridine-4-carbonyl)-N-(2-thiophen-2-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCCc1cccs1)C1CN(C(=O)c2ccncc2)CC12CCCCC2
InChIInChI=1S/C22H27N3O2S/c26-20(24-13-8-18-5-4-14-28-18)19-15-25(16-22(19)9-2-1-3-10-22)21(27)17-6-11-23-12-7-17/h4-7,11-12,14,19H,1-3,8-10,13,15-16H2,(H,24,26)
InChIKeyZACZRURPAIKBTC-UHFFFAOYSA-N
MW397.54 g/mol
LogP3.52
Rot. Bonds5

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

2-(pyridine-4-carbonyl)-N-(2-thiophen-2-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 53184624) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is 2-(pyridine-4-carbonyl)-N-(2-thiophen-2-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-(pyridine-4-carbonyl)-N-(2-thiophen-2-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID53184624
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC Name2-(pyridine-4-carbonyl)-N-(2-thiophen-2-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCCc1cccs1)C1CN(C(=O)c2ccncc2)CC12CCCCC2
InChIInChI=1S/C22H27N3O2S/c26-20(24-13-8-18-5-4-14-28-18)19-15-25(16-22(19)9-2-1-3-10-22)21(27)17-6-11-23-12-7-17/h4-7,11-12,14,19H,1-3,8-10,13,15-16H2,(H,24,26)
InChIKeyZACZRURPAIKBTC-UHFFFAOYSA-N
XLogP3.52
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-2-(pyridine-4-carbonyl)-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 95107023
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
N-(3-pyrazol-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53184696
N-(2-ethylphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 71836981
(4S)-N-(3-pyrrolidin-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 95107110
2-(3,5-difluorobenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912734
2-(4-methoxybenzoyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 134077654
N-(4-ethoxyphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 71836987
2-(3-fluoro-4-methylbenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924968
2-pyridin-3-ylsulfonyl-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53183516
(4R)-2-benzoyl-N-[(5-methylfuran-2-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide
CID 95106950

Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-4-carbonyl)-N-(2-thiophen-2-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-(pyridine-4-carbonyl)-N-(2-thiophen-2-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide (CID 53184624) is 2-(pyridine-4-carbonyl)-N-(2-thiophen-2-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-(pyridine-4-carbonyl)-N-(2-thiophen-2-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-(pyridine-4-carbonyl)-N-(2-thiophen-2-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide is O=C(NCCc1cccs1)C1CN(C(=O)c2ccncc2)CC12CCCCC2.
What is the InChIKey of 2-(pyridine-4-carbonyl)-N-(2-thiophen-2-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is ZACZRURPAIKBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S/c26-20(24-13-8-18-5-4-14-28-18)19-15-25(16-22(19)9-2-1-3-10-22)21(27)17-6-11-23-12-7-17/h4-7,11-12,14,19H,1-3,8-10,13,15-16H2,(H,24,26).
What are the key properties of 2-(pyridine-4-carbonyl)-N-(2-thiophen-2-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide?
2-(pyridine-4-carbonyl)-N-(2-thiophen-2-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 397.54 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridine-4-carbonyl)-N-(2-thiophen-2-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 53184624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).