3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(3-ethoxypropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide

C28H37N3O5 — CID 26323463

IUPAC3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(3-ethoxypropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide
SMILESCCOCCCNC(=O)c1cn(Cc2ccccc2OC)cc(C(=O)NCCC2=CCCCC2)c1=O
InChIInChI=1S/C28H37N3O5/c1-3-36-17-9-15-29-27(33)23-19-31(18-22-12-7-8-13-25(22)35-2)20-24(26(23)32)28(34)30-16-14-21-10-5-4-6-11-21/h7-8,10,12-13,19-20H,3-6,9,11,14-18H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyJPSJAVSZVXIKRU-UHFFFAOYSA-N
MW495.62 g/mol
LogP3.68
Rot. Bonds13

About 3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(3-ethoxypropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide

3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(3-ethoxypropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide (PubChem CID 26323463) has the molecular formula C28H37N3O5 and a molecular weight of 495.62 g/mol. Its IUPAC name is 3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(3-ethoxypropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(3-ethoxypropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide
PubChem CID26323463
Molecular FormulaC28H37N3O5
Molecular Weight495.62 g/mol
Exact Mass495.27
IUPAC Name3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(3-ethoxypropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide
SMILESCCOCCCNC(=O)c1cn(Cc2ccccc2OC)cc(C(=O)NCCC2=CCCCC2)c1=O
InChIInChI=1S/C28H37N3O5/c1-3-36-17-9-15-29-27(33)23-19-31(18-22-12-7-8-13-25(22)35-2)20-24(26(23)32)28(34)30-16-14-21-10-5-4-6-11-21/h7-8,10,12-13,19-20H,3-6,9,11,14-18H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyJPSJAVSZVXIKRU-UHFFFAOYSA-N
XLogP3.68
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-hydroxy-2,2-dimethylpropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide
CID 26317211
5-N-[2-(cyclohexen-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-N-methyl-4-oxo-3-N-[(3R)-oxolan-3-yl]pyridine-3,5-dicarboxamide
CID 26323415
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052430
2-[2-(cyclohexen-1-yl)ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 108993813
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 108993930
ethyl 3-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate
CID 26359401
6-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109113526
5-(azepane-1-carbonyl)-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxopyridine-3-carboxamide
CID 42471896
N-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trimethoxybenzamide
CID 838037
5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109183740
methyl (2R)-2-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate
CID 25290660
N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184369

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(3-ethoxypropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(3-ethoxypropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide (CID 26323463) is 3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(3-ethoxypropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(3-ethoxypropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(3-ethoxypropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide is CCOCCCNC(=O)c1cn(Cc2ccccc2OC)cc(C(=O)NCCC2=CCCCC2)c1=O.
What is the InChIKey of 3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(3-ethoxypropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is JPSJAVSZVXIKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O5/c1-3-36-17-9-15-29-27(33)23-19-31(18-22-12-7-8-13-25(22)35-2)20-24(26(23)32)28(34)30-16-14-21-10-5-4-6-11-21/h7-8,10,12-13,19-20H,3-6,9,11,14-18H2,1-2H3,(H,29,33)(H,30,34).
What are the key properties of 3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(3-ethoxypropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide?
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(3-ethoxypropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 495.62 g/mol, XLogP of 3.68, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(3-ethoxypropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 26323463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).