2-(1H-indol-3-yl)-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide

C16H13N3O3 — CID 44596787

IUPAC2-(1H-indol-3-yl)-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide
SMILESCOc1ccc(NC(=O)C(=O)c2c[nH]c3ccccc23)cn1
InChIInChI=1S/C16H13N3O3/c1-22-14-7-6-10(8-18-14)19-16(21)15(20)12-9-17-13-5-3-2-4-11(12)13/h2-9,17H,1H3,(H,19,21)
InChIKeyRVZKMYRKJPIMGQ-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.39
Rot. Bonds4

About 2-(1H-indol-3-yl)-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide

2-(1H-indol-3-yl)-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide (PubChem CID 44596787) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide
PubChem CID44596787
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name2-(1H-indol-3-yl)-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide
SMILESCOc1ccc(NC(=O)C(=O)c2c[nH]c3ccccc23)cn1
InChIInChI=1S/C16H13N3O3/c1-22-14-7-6-10(8-18-14)19-16(21)15(20)12-9-17-13-5-3-2-4-11(12)13/h2-9,17H,1H3,(H,19,21)
InChIKeyRVZKMYRKJPIMGQ-UHFFFAOYSA-N
XLogP2.39
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 6-methoxypyridine-3-carboxylate
CID 40753077
N-(5-acetamido-2-methoxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117383
1H-indol-3-yl-(6-methoxypyridazin-3-yl)methanone
CID 112742987
methyl 3-[3-[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoacetyl]indol-1-yl]propanoate
CID 127042246
N-(4-cyanophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 27161298
N-(6-fluoro-3-pyridinyl)-1H-indole-3-carboxamide
CID 103789953
2,3,3-trichloro-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 3780869
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
methyl 2-(1H-indol-3-yl)prop-2-enoate
CID 116843224
N-(2-fluorophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 2986288
2-(1H-indol-3-yl)-N-[6-(4-methylphenoxy)-3-pyridinyl]acetamide
CID 52649446
N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 24539331

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide (CID 44596787) is 2-(1H-indol-3-yl)-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide is COc1ccc(NC(=O)C(=O)c2c[nH]c3ccccc23)cn1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide?
The InChIKey is RVZKMYRKJPIMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-14-7-6-10(8-18-14)19-16(21)15(20)12-9-17-13-5-3-2-4-11(12)13/h2-9,17H,1H3,(H,19,21).
What are the key properties of 2-(1H-indol-3-yl)-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide?
2-(1H-indol-3-yl)-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide has a molecular weight of 295.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 44596787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).