2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxypyrimidin-5-yl)-2-oxoacetamide

C18H18N4O4 — CID 127040629

IUPAC2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxypyrimidin-5-yl)-2-oxoacetamide
SMILESCOCCn1cc(C(=O)C(=O)Nc2cnc(OC)nc2)c2ccccc21
InChIInChI=1S/C18H18N4O4/c1-25-8-7-22-11-14(13-5-3-4-6-15(13)22)16(23)17(24)21-12-9-19-18(26-2)20-10-12/h3-6,9-11H,7-8H2,1-2H3,(H,21,24)
InChIKeyONZDAVVDBZPLFJ-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.91
Rot. Bonds7

About 2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxypyrimidin-5-yl)-2-oxoacetamide

2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxypyrimidin-5-yl)-2-oxoacetamide (PubChem CID 127040629) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxypyrimidin-5-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxypyrimidin-5-yl)-2-oxoacetamide
PubChem CID127040629
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxypyrimidin-5-yl)-2-oxoacetamide
SMILESCOCCn1cc(C(=O)C(=O)Nc2cnc(OC)nc2)c2ccccc21
InChIInChI=1S/C18H18N4O4/c1-25-8-7-22-11-14(13-5-3-4-6-15(13)22)16(23)17(24)21-12-9-19-18(26-2)20-10-12/h3-6,9-11H,7-8H2,1-2H3,(H,21,24)
InChIKeyONZDAVVDBZPLFJ-UHFFFAOYSA-N
XLogP1.91
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Alosetron
CID 2099
Alosetron Hydrochloride
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CID 5311136
6-but-3-enyl-4-[1-methyl-6-(morpholine-4-carbonyl)benzimidazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121335283
1-((1R)-1-(Hydroxymethyl)-3-{6-[(5-phenylpentanoyl)amino]-1H-indol-1-YL}propyl)-1H-imidazole-4-carboxamide
CID 448215
PKCbeta Inhibitor
CID 6419755
1-[(2R)-1-hydroxy-4-{6-[3-(pyridin-3-yl)propanamido]-1H-indol-1-yl}butan-2-yl]-1H-imidazole-4-carboxamide
CID 11453636
2-(2-aminopyrimidin-4-yl)-1-propyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585151
2-(2-aminopyrimidin-4-yl)-1-butyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585152
2-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585194
2-(2-aminopyrimidin-4-yl)-1-benzyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190899
2-(4-Cyanophenyl)-N-{5-[7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonyl]pyridin-3-Yl}acetamide
CID 70847539

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxypyrimidin-5-yl)-2-oxoacetamide?
The IUPAC name of 2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxypyrimidin-5-yl)-2-oxoacetamide (CID 127040629) is 2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxypyrimidin-5-yl)-2-oxoacetamide.
What is the SMILES notation for 2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxypyrimidin-5-yl)-2-oxoacetamide?
The canonical SMILES for 2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxypyrimidin-5-yl)-2-oxoacetamide is COCCn1cc(C(=O)C(=O)Nc2cnc(OC)nc2)c2ccccc21.
What is the InChIKey of 2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxypyrimidin-5-yl)-2-oxoacetamide?
The InChIKey is ONZDAVVDBZPLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-25-8-7-22-11-14(13-5-3-4-6-15(13)22)16(23)17(24)21-12-9-19-18(26-2)20-10-12/h3-6,9-11H,7-8H2,1-2H3,(H,21,24).
What are the key properties of 2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxypyrimidin-5-yl)-2-oxoacetamide?
2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxypyrimidin-5-yl)-2-oxoacetamide has a molecular weight of 354.37 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)indol-3-yl]-N-(2-methoxypyrimidin-5-yl)-2-oxoacetamide is sourced from PubChem (CID 127040629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).