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

C24H29N3O2 — CID 71836981

IUPACN-(2-ethylphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESCCc1ccccc1NC(=O)C1CN(C(=O)c2ccncc2)CC12CCCCC2
InChIInChI=1S/C24H29N3O2/c1-2-18-8-4-5-9-21(18)26-22(28)20-16-27(17-24(20)12-6-3-7-13-24)23(29)19-10-14-25-15-11-19/h4-5,8-11,14-15,20H,2-3,6-7,12-13,16-17H2,1H3,(H,26,28)
InChIKeyFNDFBOQSMZTFSY-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.31
Rot. Bonds4

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

N-(2-ethylphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 71836981) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID71836981
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-(2-ethylphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESCCc1ccccc1NC(=O)C1CN(C(=O)c2ccncc2)CC12CCCCC2
InChIInChI=1S/C24H29N3O2/c1-2-18-8-4-5-9-21(18)26-22(28)20-16-27(17-24(20)12-6-3-7-13-24)23(29)19-10-14-25-15-11-19/h4-5,8-11,14-15,20H,2-3,6-7,12-13,16-17H2,1H3,(H,26,28)
InChIKeyFNDFBOQSMZTFSY-UHFFFAOYSA-N
XLogP4.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 71836987
(4S)-2-(pyridine-4-carbonyl)-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 95107023
2-(pyridine-4-carbonyl)-N-(2-thiophen-2-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53184624
methyl 3-[(2-benzoyl-2-azaspiro[4.5]decane-4-carbonyl)amino]propanoate
CID 53184577
(4R)-2-benzoyl-N-[(5-methylfuran-2-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide
CID 95106950
(5R,9S)-N-methyl-2-(pyridine-4-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896026
N-(2-ethylphenyl)-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 131641879
6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 154579532
N-(2-ethylphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102918
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
(2R)-1-benzoyl-N-(2-ethylphenyl)pyrrolidine-2-carboxamide
CID 51605166
2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119218307

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide (CID 71836981) is N-(2-ethylphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide is CCc1ccccc1NC(=O)C1CN(C(=O)c2ccncc2)CC12CCCCC2.
What is the InChIKey of N-(2-ethylphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is FNDFBOQSMZTFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-2-18-8-4-5-9-21(18)26-22(28)20-16-27(17-24(20)12-6-3-7-13-24)23(29)19-10-14-25-15-11-19/h4-5,8-11,14-15,20H,2-3,6-7,12-13,16-17H2,1H3,(H,26,28).
What are the key properties of N-(2-ethylphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
N-(2-ethylphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 71836981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).