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

C24H29N3O3 — CID 71836987

IUPACN-(4-ethoxyphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CN(C(=O)c3ccncc3)CC23CCCCC3)cc1
InChIInChI=1S/C24H29N3O3/c1-2-30-20-8-6-19(7-9-20)26-22(28)21-16-27(17-24(21)12-4-3-5-13-24)23(29)18-10-14-25-15-11-18/h6-11,14-15,21H,2-5,12-13,16-17H2,1H3,(H,26,28)
InChIKeySLKOKJSFPBFNTM-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.14
Rot. Bonds5

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

N-(4-ethoxyphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 71836987) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID71836987
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-(4-ethoxyphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CN(C(=O)c3ccncc3)CC23CCCCC3)cc1
InChIInChI=1S/C24H29N3O3/c1-2-30-20-8-6-19(7-9-20)26-22(28)21-16-27(17-24(21)12-4-3-5-13-24)23(29)18-10-14-25-15-11-18/h6-11,14-15,21H,2-5,12-13,16-17H2,1H3,(H,26,28)
InChIKeySLKOKJSFPBFNTM-UHFFFAOYSA-N
XLogP4.14
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 71836981
2-(pyridine-4-carbonyl)-N-(2-thiophen-2-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53184624
1-(4-ethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108693
(3S)-N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51562316
N-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044668
4-ethoxy-N-pyridin-4-ylbenzamide
CID 803153
(2S)-1-N,2-N-bis(4-ethoxyphenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 21177970
N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986398
(4-ethoxyphenyl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 164697904
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320
(3R)-1-(2,2-dimethylpropanoyl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 94857499
(2S)-1-benzoyl-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 92668241

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide (CID 71836987) is N-(4-ethoxyphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide is CCOc1ccc(NC(=O)C2CN(C(=O)c3ccncc3)CC23CCCCC3)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is SLKOKJSFPBFNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-2-30-20-8-6-19(7-9-20)26-22(28)21-16-27(17-24(21)12-4-3-5-13-24)23(29)18-10-14-25-15-11-18/h6-11,14-15,21H,2-5,12-13,16-17H2,1H3,(H,26,28).
What are the key properties of N-(4-ethoxyphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
N-(4-ethoxyphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 71836987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).