[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 6-methoxypyridine-3-carboxylate

C18H16N2O4 — CID 40753077

IUPAC[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 6-methoxypyridine-3-carboxylate
SMILESCOc1ccc(C(=O)O[C@@H](C)C(=O)c2c[nH]c3ccccc23)cn1
InChIInChI=1S/C18H16N2O4/c1-11(24-18(22)12-7-8-16(23-2)20-9-12)17(21)14-10-19-15-6-4-3-5-13(14)15/h3-11,19H,1-2H3/t11-/m0/s1
InChIKeyLPURWIHZEYMYOV-NSHDSACASA-N
MW324.34 g/mol
LogP3.00
Rot. Bonds5

About [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 6-methoxypyridine-3-carboxylate

[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 6-methoxypyridine-3-carboxylate (PubChem CID 40753077) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 6-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 6-methoxypyridine-3-carboxylate
PubChem CID40753077
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 6-methoxypyridine-3-carboxylate
SMILESCOc1ccc(C(=O)O[C@@H](C)C(=O)c2c[nH]c3ccccc23)cn1
InChIInChI=1S/C18H16N2O4/c1-11(24-18(22)12-7-8-16(23-2)20-9-12)17(21)14-10-19-15-6-4-3-5-13(14)15/h3-11,19H,1-2H3/t11-/m0/s1
InChIKeyLPURWIHZEYMYOV-NSHDSACASA-N
XLogP3.00
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 6-methoxypyridine-3-carboxylate with MolForge

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Related Compounds

[1-(1H-indol-3-yl)-1-oxopropan-2-yl] benzoate
CID 42984005
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 43001103
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 8013162
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 46790132
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3,5-dimethoxy-4-methylbenzoate
CID 55325807
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 7797163
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-ethoxy-4-methoxybenzoate
CID 7903355
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] quinoxaline-2-carboxylate
CID 30060169
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7789907
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-fluoro-4-methylbenzoate
CID 9387014
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 6-methoxypyridine-3-carboxylate
CID 40752744
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
CID 41379117

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 6-methoxypyridine-3-carboxylate?
The IUPAC name of [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 6-methoxypyridine-3-carboxylate (CID 40753077) is [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 6-methoxypyridine-3-carboxylate.
What is the SMILES notation for [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 6-methoxypyridine-3-carboxylate?
The canonical SMILES for [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 6-methoxypyridine-3-carboxylate is COc1ccc(C(=O)O[C@@H](C)C(=O)c2c[nH]c3ccccc23)cn1.
What is the InChIKey of [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 6-methoxypyridine-3-carboxylate?
The InChIKey is LPURWIHZEYMYOV-NSHDSACASA-N. The full InChI is InChI=1S/C18H16N2O4/c1-11(24-18(22)12-7-8-16(23-2)20-9-12)17(21)14-10-19-15-6-4-3-5-13(14)15/h3-11,19H,1-2H3/t11-/m0/s1.
What are the key properties of [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 6-methoxypyridine-3-carboxylate?
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 6-methoxypyridine-3-carboxylate has a molecular weight of 324.34 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 6-methoxypyridine-3-carboxylate is sourced from PubChem (CID 40753077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).