ethyl 3-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate

C25H33N3O6 — CID 26359401

IUPACethyl 3-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1cn(Cc2ccccc2OC)cc(C(=O)NCCC(C)C)c1=O
InChIInChI=1S/C25H33N3O6/c1-5-34-22(29)11-13-27-25(32)20-16-28(14-18-8-6-7-9-21(18)33-4)15-19(23(20)30)24(31)26-12-10-17(2)3/h6-9,15-17H,5,10-14H2,1-4H3,(H,26,31)(H,27,32)
InChIKeyMIVCKSLECFZDSN-UHFFFAOYSA-N
MW471.55 g/mol
LogP2.36
Rot. Bonds12

About ethyl 3-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate

ethyl 3-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate (PubChem CID 26359401) has the molecular formula C25H33N3O6 and a molecular weight of 471.55 g/mol. Its IUPAC name is ethyl 3-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate
PubChem CID26359401
Molecular FormulaC25H33N3O6
Molecular Weight471.55 g/mol
Exact Mass471.24
IUPAC Nameethyl 3-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1cn(Cc2ccccc2OC)cc(C(=O)NCCC(C)C)c1=O
InChIInChI=1S/C25H33N3O6/c1-5-34-22(29)11-13-27-25(32)20-16-28(14-18-8-6-7-9-21(18)33-4)15-19(23(20)30)24(31)26-12-10-17(2)3/h6-9,15-17H,5,10-14H2,1-4H3,(H,26,31)(H,27,32)
InChIKeyMIVCKSLECFZDSN-UHFFFAOYSA-N
XLogP2.36
TPSA115.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 3-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2R)-2-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate
CID 25290660
5-(azepane-1-carbonyl)-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxopyridine-3-carboxamide
CID 42471896
ethyl 3-[(2-ethylbenzoyl)amino]propanoate
CID 70914012
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(3-ethoxypropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide
CID 26323463
ethyl 4-[(2-methoxybenzoyl)amino]butanoate
CID 60637531
ethyl 3-[[5-(cyclooctylcarbamoyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonyl]amino]propanoate
CID 42278246
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827574
3-N-(2-methoxyethyl)-1-[(2-methoxyphenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 42483288
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-(2-methoxyphenyl)ethyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 26348562
N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 44996012
N-(3-aminobutyl)-2-(2-methoxyphenyl)acetamide;hydrochloride
CID 75369473

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate?
The IUPAC name of ethyl 3-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate (CID 26359401) is ethyl 3-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate is CCOC(=O)CCNC(=O)c1cn(Cc2ccccc2OC)cc(C(=O)NCCC(C)C)c1=O.
What is the InChIKey of ethyl 3-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate?
The InChIKey is MIVCKSLECFZDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O6/c1-5-34-22(29)11-13-27-25(32)20-16-28(14-18-8-6-7-9-21(18)33-4)15-19(23(20)30)24(31)26-12-10-17(2)3/h6-9,15-17H,5,10-14H2,1-4H3,(H,26,31)(H,27,32).
What are the key properties of ethyl 3-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate?
ethyl 3-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate has a molecular weight of 471.55 g/mol, XLogP of 2.36, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate is sourced from PubChem (CID 26359401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).