3-[2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethoxy]pyrrolidine-1-carboxylic acid

C22H26N4O6 — CID 126721348

IUPAC3-[2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethoxy]pyrrolidine-1-carboxylic acid
SMILESCNC(=O)c1cc(C(=O)NCCOC2CCN(C(=O)O)C2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C22H26N4O6/c1-23-20(28)18-11-16(13-26(21(18)29)12-15-5-3-2-4-6-15)19(27)24-8-10-32-17-7-9-25(14-17)22(30)31/h2-6,11,13,17H,7-10,12,14H2,1H3,(H,23,28)(H,24,27)(H,30,31)
InChIKeyGUFCZYRIAXCVOB-UHFFFAOYSA-N
MW442.47 g/mol
LogP0.75
Rot. Bonds8

About 3-[2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethoxy]pyrrolidine-1-carboxylic acid

3-[2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethoxy]pyrrolidine-1-carboxylic acid (PubChem CID 126721348) has the molecular formula C22H26N4O6 and a molecular weight of 442.47 g/mol. Its IUPAC name is 3-[2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethoxy]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethoxy]pyrrolidine-1-carboxylic acid
PubChem CID126721348
Molecular FormulaC22H26N4O6
Molecular Weight442.47 g/mol
Exact Mass442.19
IUPAC Name3-[2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethoxy]pyrrolidine-1-carboxylic acid
SMILESCNC(=O)c1cc(C(=O)NCCOC2CCN(C(=O)O)C2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C22H26N4O6/c1-23-20(28)18-11-16(13-26(21(18)29)12-15-5-3-2-4-6-15)19(27)24-8-10-32-17-7-9-25(14-17)22(30)31/h2-6,11,13,17H,7-10,12,14H2,1H3,(H,23,28)(H,24,27)(H,30,31)
InChIKeyGUFCZYRIAXCVOB-UHFFFAOYSA-N
XLogP0.75
TPSA129.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethoxy]pyrrolidine-1-carboxylic acid 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

3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propylcarbamic acid
CID 135341859
1-benzyl-3-N-methyl-5-N-[3-(1-methylpiperidin-4-yl)propyl]-2-oxopyridine-3,5-dicarboxamide
CID 126721311
1-benzyl-3-N-methyl-2-oxo-5-N-(3-piperidin-1-ylpropyl)pyridine-3,5-dicarboxamide
CID 126721294
1-benzyl-5-N-[3-[1-(2-fluoroethyl)piperidin-4-yl]propyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126739590
4-[3-[[1-[(2-fluorophenyl)methyl]-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propyl]piperidine-1-carboxylic acid
CID 126721258
2-[2-[[1-benzyl-5-(ethylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethyl]morpholine-4-carboxylic acid
CID 126721221
1-benzyl-5-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126721346
1-benzyl-3-N-methyl-2-oxo-5-N-[2-(1H-pyrazol-4-yl)ethyl]pyridine-3,5-dicarboxamide
CID 129022866
1-benzyl-5-N-[(1R,2R)-2-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 139538101
5-[1-[3-(1-acetylpiperidin-4-yl)propylamino]ethenyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide
CID 145279448
1-benzyl-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide
CID 126675355
tert-butyl 2-[3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propyl]morpholine-4-carboxylate
CID 126721219

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethoxy]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethoxy]pyrrolidine-1-carboxylic acid (CID 126721348) is 3-[2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethoxy]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethoxy]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethoxy]pyrrolidine-1-carboxylic acid is CNC(=O)c1cc(C(=O)NCCOC2CCN(C(=O)O)C2)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 3-[2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethoxy]pyrrolidine-1-carboxylic acid?
The InChIKey is GUFCZYRIAXCVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O6/c1-23-20(28)18-11-16(13-26(21(18)29)12-15-5-3-2-4-6-15)19(27)24-8-10-32-17-7-9-25(14-17)22(30)31/h2-6,11,13,17H,7-10,12,14H2,1H3,(H,23,28)(H,24,27)(H,30,31).
What are the key properties of 3-[2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethoxy]pyrrolidine-1-carboxylic acid?
3-[2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethoxy]pyrrolidine-1-carboxylic acid has a molecular weight of 442.47 g/mol, XLogP of 0.75, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethoxy]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 126721348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).