ethyl 2-[(5-acetamido-1-benzyl-2-methyl-6-oxopyridine-3-carbonyl)amino]acetate

C20H23N3O5 — CID 10596235

IUPACethyl 2-[(5-acetamido-1-benzyl-2-methyl-6-oxopyridine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(NC(C)=O)c(=O)n(Cc2ccccc2)c1C
InChIInChI=1S/C20H23N3O5/c1-4-28-18(25)11-21-19(26)16-10-17(22-14(3)24)20(27)23(13(16)2)12-15-8-6-5-7-9-15/h5-10H,4,11-12H2,1-3H3,(H,21,26)(H,22,24)
InChIKeyAOHHIBQASZFZTB-UHFFFAOYSA-N
MW385.42 g/mol
LogP1.46
Rot. Bonds7

About ethyl 2-[(5-acetamido-1-benzyl-2-methyl-6-oxopyridine-3-carbonyl)amino]acetate

ethyl 2-[(5-acetamido-1-benzyl-2-methyl-6-oxopyridine-3-carbonyl)amino]acetate (PubChem CID 10596235) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is ethyl 2-[(5-acetamido-1-benzyl-2-methyl-6-oxopyridine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-acetamido-1-benzyl-2-methyl-6-oxopyridine-3-carbonyl)amino]acetate
PubChem CID10596235
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Nameethyl 2-[(5-acetamido-1-benzyl-2-methyl-6-oxopyridine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(NC(C)=O)c(=O)n(Cc2ccccc2)c1C
InChIInChI=1S/C20H23N3O5/c1-4-28-18(25)11-21-19(26)16-10-17(22-14(3)24)20(27)23(13(16)2)12-15-8-6-5-7-9-15/h5-10H,4,11-12H2,1-3H3,(H,21,26)(H,22,24)
InChIKeyAOHHIBQASZFZTB-UHFFFAOYSA-N
XLogP1.46
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(5-acetamido-1-benzyl-2-methyl-6-oxopyridine-3-carbonyl)amino]acetate 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

4-Morpholineacetamide, N-(phenylmethyl)-
CID 2958814
N-[1-(2-Morpholin-4-yl-ethylcarbamoyl)-2-phenyl-vinyl]-benzamide
CID 2873163
N1-benzyl-N2-(3-morpholinopropyl)oxalamide
CID 2291099
N-[1-(4-Fluoro-benzyl)-5-methyl-2-oxo-1,2-dihydro-pyridin-3-yl]-2-methoxy-acetamide
CID 6488633
{2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-carbamic acid methyl ester
CID 10366641
1-benzyl-5-N-(2-methoxyethyl)-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 135341844
N-benzyl-2-(3-cyano-4,6-dimethyl-2-oxopyridin-1(2H)-yl)acetamide
CID 6462239
6-Amino-5-benzylamino-1-(2-methoxy-ethyl)-1H-pyrimidine-2,4-dione
CID 2429003
(N-Benzoyl)glycylglycine methyl ester
CID 294885
N-[3-methyl-1-(morpholin-4-yl)-1-oxobut-2-en-2-yl]benzamide
CID 2249574
methyl N-benzoylvalylvalinate
CID 2956182
Ethyl 4-[2-({3-[benzyl(ethyl)amino]propyl}amino)-3,4-dioxocyclobut-1-en-1-yl]piperazine-1-carboxylate
CID 3236302

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-acetamido-1-benzyl-2-methyl-6-oxopyridine-3-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(5-acetamido-1-benzyl-2-methyl-6-oxopyridine-3-carbonyl)amino]acetate (CID 10596235) is ethyl 2-[(5-acetamido-1-benzyl-2-methyl-6-oxopyridine-3-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(5-acetamido-1-benzyl-2-methyl-6-oxopyridine-3-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(5-acetamido-1-benzyl-2-methyl-6-oxopyridine-3-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1cc(NC(C)=O)c(=O)n(Cc2ccccc2)c1C.
What is the InChIKey of ethyl 2-[(5-acetamido-1-benzyl-2-methyl-6-oxopyridine-3-carbonyl)amino]acetate?
The InChIKey is AOHHIBQASZFZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-4-28-18(25)11-21-19(26)16-10-17(22-14(3)24)20(27)23(13(16)2)12-15-8-6-5-7-9-15/h5-10H,4,11-12H2,1-3H3,(H,21,26)(H,22,24).
What are the key properties of ethyl 2-[(5-acetamido-1-benzyl-2-methyl-6-oxopyridine-3-carbonyl)amino]acetate?
ethyl 2-[(5-acetamido-1-benzyl-2-methyl-6-oxopyridine-3-carbonyl)amino]acetate has a molecular weight of 385.42 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-acetamido-1-benzyl-2-methyl-6-oxopyridine-3-carbonyl)amino]acetate is sourced from PubChem (CID 10596235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).