2-(1H-indol-3-yl)-N-(6-methoxypyrimidin-4-yl)-2-oxoacetamide

C15H12N4O3 — CID 44597738

IUPAC2-(1H-indol-3-yl)-N-(6-methoxypyrimidin-4-yl)-2-oxoacetamide
SMILESCOc1cc(NC(=O)C(=O)c2c[nH]c3ccccc23)ncn1
InChIInChI=1S/C15H12N4O3/c1-22-13-6-12(17-8-18-13)19-15(21)14(20)10-7-16-11-5-3-2-4-9(10)11/h2-8,16H,1H3,(H,17,18,19,21)
InChIKeyJQLHYQLPQAHYOF-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.79
Rot. Bonds4

About 2-(1H-indol-3-yl)-N-(6-methoxypyrimidin-4-yl)-2-oxoacetamide

2-(1H-indol-3-yl)-N-(6-methoxypyrimidin-4-yl)-2-oxoacetamide (PubChem CID 44597738) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(6-methoxypyrimidin-4-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(6-methoxypyrimidin-4-yl)-2-oxoacetamide
PubChem CID44597738
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name2-(1H-indol-3-yl)-N-(6-methoxypyrimidin-4-yl)-2-oxoacetamide
SMILESCOc1cc(NC(=O)C(=O)c2c[nH]c3ccccc23)ncn1
InChIInChI=1S/C15H12N4O3/c1-22-13-6-12(17-8-18-13)19-15(21)14(20)10-7-16-11-5-3-2-4-9(10)11/h2-8,16H,1H3,(H,17,18,19,21)
InChIKeyJQLHYQLPQAHYOF-UHFFFAOYSA-N
XLogP1.79
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,9-Diazaspiro[5.5]undecan-1-one, 2-(1H-indol-3-ylMethyl)-9-(4-Methoxy-2-pyriMidinyl)-
CID 56970858
1-(1H-indol-3-yl)-2-((3-methoxyphenyl)amino)-2-(pyrimidin-5-yl)ethanone
CID 86728618
1-(1H-indol-3-yl)-2-((6-methoxypyridin-2-yl)amino)-2-phenylethanone
CID 86728952
2-[(6-acetyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 155532022
2-[(5-acetyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 155534251
2-[(4-acetyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 155537286
1-(2,6-dimethyl-1H-indol-3-yl)-2-[[5-(ethoxymethyl)-2-methylpyrimidin-4-yl]amino]ethanone
CID 1606272
2-((5-(ethoxymethyl)-2-methylpyrimidin-4-yl)amino)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 1914803
N-(1H-indol-4-yl)-2,6-dimethylfuro[2,3-d]pyrimidin-4-amine
CID 90645482
N-(2-methoxypyrimidin-5-yl)-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide
CID 127040628
2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrimidine-5-carboxamide
CID 155135105
1-(1H-indol-3-yl)-2-((4-methoxypyridin-2-yl)amino)-2-phenylethanone
CID 86728664

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(6-methoxypyrimidin-4-yl)-2-oxoacetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-(6-methoxypyrimidin-4-yl)-2-oxoacetamide (CID 44597738) is 2-(1H-indol-3-yl)-N-(6-methoxypyrimidin-4-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(6-methoxypyrimidin-4-yl)-2-oxoacetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(6-methoxypyrimidin-4-yl)-2-oxoacetamide is COc1cc(NC(=O)C(=O)c2c[nH]c3ccccc23)ncn1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(6-methoxypyrimidin-4-yl)-2-oxoacetamide?
The InChIKey is JQLHYQLPQAHYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c1-22-13-6-12(17-8-18-13)19-15(21)14(20)10-7-16-11-5-3-2-4-9(10)11/h2-8,16H,1H3,(H,17,18,19,21).
What are the key properties of 2-(1H-indol-3-yl)-N-(6-methoxypyrimidin-4-yl)-2-oxoacetamide?
2-(1H-indol-3-yl)-N-(6-methoxypyrimidin-4-yl)-2-oxoacetamide has a molecular weight of 296.29 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(6-methoxypyrimidin-4-yl)-2-oxoacetamide is sourced from PubChem (CID 44597738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).