ethyl 3-[[5-(cyclooctylcarbamoyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonyl]amino]propanoate

C26H34N4O5 — CID 42278246

IUPACethyl 3-[[5-(cyclooctylcarbamoyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1cn(Cc2ccccn2)cc(C(=O)NC2CCCCCCC2)c1=O
InChIInChI=1S/C26H34N4O5/c1-2-35-23(31)13-15-28-25(33)21-17-30(16-20-12-8-9-14-27-20)18-22(24(21)32)26(34)29-19-10-6-4-3-5-7-11-19/h8-9,12,14,17-19H,2-7,10-11,13,15-16H2,1H3,(H,28,33)(H,29,34)
InChIKeyZYKFCVRNCXKARS-UHFFFAOYSA-N
MW482.58 g/mol
LogP2.82
Rot. Bonds9

About ethyl 3-[[5-(cyclooctylcarbamoyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonyl]amino]propanoate

ethyl 3-[[5-(cyclooctylcarbamoyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonyl]amino]propanoate (PubChem CID 42278246) has the molecular formula C26H34N4O5 and a molecular weight of 482.58 g/mol. Its IUPAC name is ethyl 3-[[5-(cyclooctylcarbamoyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[5-(cyclooctylcarbamoyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonyl]amino]propanoate
PubChem CID42278246
Molecular FormulaC26H34N4O5
Molecular Weight482.58 g/mol
Exact Mass482.25
IUPAC Nameethyl 3-[[5-(cyclooctylcarbamoyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1cn(Cc2ccccn2)cc(C(=O)NC2CCCCCCC2)c1=O
InChIInChI=1S/C26H34N4O5/c1-2-35-23(31)13-15-28-25(33)21-17-30(16-20-12-8-9-14-27-20)18-22(24(21)32)26(34)29-19-10-6-4-3-5-7-11-19/h8-9,12,14,17-19H,2-7,10-11,13,15-16H2,1H3,(H,28,33)(H,29,34)
InChIKeyZYKFCVRNCXKARS-UHFFFAOYSA-N
XLogP2.82
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 3-[[5-(cyclooctylcarbamoyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonyl]amino]propanoate with MolForge

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Related Compounds

3-N-cyclooctyl-4-oxo-5-N-(2-propan-2-yloxyethyl)-1-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 26343326
N-cyclooctyl-5-[(3R)-3-methylpiperidine-1-carbonyl]-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 42449631
3-N-benzyl-5-N-cyclooctyl-3-N-methyl-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 42433369
5-N-cyclooctyl-3-N-[(4R)-2,2-dimethyloxan-4-yl]-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 42278027
5-(azepane-1-carbonyl)-N-cyclooctyl-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 26278147
N-cyclooctyl-5-(2-methylpiperidine-1-carbonyl)-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 45227332
ethyl 3-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate
CID 26359401
5-N-cyclooctyl-3-N-methyl-4-oxo-1-(oxolan-2-ylmethyl)-3-N-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
CID 45216743
5-N-cyclooctyl-3-N-[(1S)-1-(furan-2-yl)ethyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
CID 42209955
N-cyclooctyl-5-[(2R)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 42425389
ethyl 3-(cyclohexylcarbamoylamino)propanoate
CID 61173677
3-N-cyclooctyl-5-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide
CID 42482348

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[5-(cyclooctylcarbamoyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonyl]amino]propanoate?
The IUPAC name of ethyl 3-[[5-(cyclooctylcarbamoyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonyl]amino]propanoate (CID 42278246) is ethyl 3-[[5-(cyclooctylcarbamoyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[5-(cyclooctylcarbamoyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[5-(cyclooctylcarbamoyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonyl]amino]propanoate is CCOC(=O)CCNC(=O)c1cn(Cc2ccccn2)cc(C(=O)NC2CCCCCCC2)c1=O.
What is the InChIKey of ethyl 3-[[5-(cyclooctylcarbamoyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonyl]amino]propanoate?
The InChIKey is ZYKFCVRNCXKARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5/c1-2-35-23(31)13-15-28-25(33)21-17-30(16-20-12-8-9-14-27-20)18-22(24(21)32)26(34)29-19-10-6-4-3-5-7-11-19/h8-9,12,14,17-19H,2-7,10-11,13,15-16H2,1H3,(H,28,33)(H,29,34).
What are the key properties of ethyl 3-[[5-(cyclooctylcarbamoyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonyl]amino]propanoate?
ethyl 3-[[5-(cyclooctylcarbamoyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonyl]amino]propanoate has a molecular weight of 482.58 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[5-(cyclooctylcarbamoyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonyl]amino]propanoate is sourced from PubChem (CID 42278246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).