2-[2-[[1-benzyl-5-(ethylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethyl]morpholine-4-carboxylic acid

C23H28N4O6 — CID 126721221

IUPAC2-[2-[[1-benzyl-5-(ethylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethyl]morpholine-4-carboxylic acid
SMILESCCNC(=O)c1cc(C(=O)NCCC2CN(C(=O)O)CCO2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C23H28N4O6/c1-2-24-21(29)19-12-17(14-27(22(19)30)13-16-6-4-3-5-7-16)20(28)25-9-8-18-15-26(23(31)32)10-11-33-18/h3-7,12,14,18H,2,8-11,13,15H2,1H3,(H,24,29)(H,25,28)(H,31,32)
InChIKeySMJZEZCTZKEQJH-UHFFFAOYSA-N
MW456.50 g/mol
LogP1.14
Rot. Bonds8

About 2-[2-[[1-benzyl-5-(ethylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethyl]morpholine-4-carboxylic acid

2-[2-[[1-benzyl-5-(ethylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethyl]morpholine-4-carboxylic acid (PubChem CID 126721221) has the molecular formula C23H28N4O6 and a molecular weight of 456.50 g/mol. Its IUPAC name is 2-[2-[[1-benzyl-5-(ethylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethyl]morpholine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[[1-benzyl-5-(ethylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethyl]morpholine-4-carboxylic acid
PubChem CID126721221
Molecular FormulaC23H28N4O6
Molecular Weight456.50 g/mol
Exact Mass456.20
IUPAC Name2-[2-[[1-benzyl-5-(ethylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethyl]morpholine-4-carboxylic acid
SMILESCCNC(=O)c1cc(C(=O)NCCC2CN(C(=O)O)CCO2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C23H28N4O6/c1-2-24-21(29)19-12-17(14-27(22(19)30)13-16-6-4-3-5-7-16)20(28)25-9-8-18-15-26(23(31)32)10-11-33-18/h3-7,12,14,18H,2,8-11,13,15H2,1H3,(H,24,29)(H,25,28)(H,31,32)
InChIKeySMJZEZCTZKEQJH-UHFFFAOYSA-N
XLogP1.14
TPSA129.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[2-[[1-benzyl-5-(ethylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethyl]morpholine-4-carboxylic acid with MolForge

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Related Compounds

tert-butyl 2-[3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propyl]morpholine-4-carboxylate
CID 126721219
3-[3-[[1-benzyl-5-(ethylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propyl]-3-fluoropiperidine-1-carboxylic acid
CID 126721341
tert-butyl 2-[4-(1-benzyl-6-oxo-5-propanoyl-3-pyridinyl)-4-oxobutyl]morpholine-4-carboxylate
CID 146967144
1-benzyl-5-[4-(4-methylmorpholin-2-yl)butanoyl]-3-propanoylpyridin-2-one
CID 158087137
1-benzyl-3-N-methyl-5-N-[3-(1-methylpiperidin-4-yl)propyl]-2-oxopyridine-3,5-dicarboxamide
CID 126721311
3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propylcarbamic acid
CID 135341859
1-benzyl-3-N-methyl-2-oxo-5-N-(3-piperidin-1-ylpropyl)pyridine-3,5-dicarboxamide
CID 126721294
1-benzyl-2-oxo-5-N-[3-(1-propylpiperidin-4-yl)propyl]pyridine-3,5-dicarboxamide
CID 163805471
5-N-ethyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide
CID 129022652
1-benzyl-5-N-[3-[1-(2-fluoroethyl)piperidin-4-yl]propyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126739590
1-benzyl-5-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126721346
N-[4-oxo-4-[(2S)-2-propylmorpholin-4-yl]butyl]benzamide
CID 97064108

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-benzyl-5-(ethylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethyl]morpholine-4-carboxylic acid?
The IUPAC name of 2-[2-[[1-benzyl-5-(ethylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethyl]morpholine-4-carboxylic acid (CID 126721221) is 2-[2-[[1-benzyl-5-(ethylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethyl]morpholine-4-carboxylic acid.
What is the SMILES notation for 2-[2-[[1-benzyl-5-(ethylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethyl]morpholine-4-carboxylic acid?
The canonical SMILES for 2-[2-[[1-benzyl-5-(ethylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethyl]morpholine-4-carboxylic acid is CCNC(=O)c1cc(C(=O)NCCC2CN(C(=O)O)CCO2)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 2-[2-[[1-benzyl-5-(ethylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethyl]morpholine-4-carboxylic acid?
The InChIKey is SMJZEZCTZKEQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O6/c1-2-24-21(29)19-12-17(14-27(22(19)30)13-16-6-4-3-5-7-16)20(28)25-9-8-18-15-26(23(31)32)10-11-33-18/h3-7,12,14,18H,2,8-11,13,15H2,1H3,(H,24,29)(H,25,28)(H,31,32).
What are the key properties of 2-[2-[[1-benzyl-5-(ethylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethyl]morpholine-4-carboxylic acid?
2-[2-[[1-benzyl-5-(ethylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethyl]morpholine-4-carboxylic acid has a molecular weight of 456.50 g/mol, XLogP of 1.14, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-benzyl-5-(ethylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethyl]morpholine-4-carboxylic acid is sourced from PubChem (CID 126721221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).