[1-(1H-indol-3-yl)-1-oxopropan-2-yl] pyridine-3-carboxylate

C17H14N2O3 — CID 43001103

IUPAC[1-(1H-indol-3-yl)-1-oxopropan-2-yl] pyridine-3-carboxylate
SMILESCC(OC(=O)c1cccnc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H14N2O3/c1-11(22-17(21)12-5-4-8-18-9-12)16(20)14-10-19-15-7-3-2-6-13(14)15/h2-11,19H,1H3
InChIKeyRKQMOTLMEBHUCC-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.99
Rot. Bonds4

About [1-(1H-indol-3-yl)-1-oxopropan-2-yl] pyridine-3-carboxylate

[1-(1H-indol-3-yl)-1-oxopropan-2-yl] pyridine-3-carboxylate (PubChem CID 43001103) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is [1-(1H-indol-3-yl)-1-oxopropan-2-yl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[1-(1H-indol-3-yl)-1-oxopropan-2-yl] pyridine-3-carboxylate
PubChem CID43001103
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name[1-(1H-indol-3-yl)-1-oxopropan-2-yl] pyridine-3-carboxylate
SMILESCC(OC(=O)c1cccnc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H14N2O3/c1-11(22-17(21)12-5-4-8-18-9-12)16(20)14-10-19-15-7-3-2-6-13(14)15/h2-11,19H,1H3
InChIKeyRKQMOTLMEBHUCC-UHFFFAOYSA-N
XLogP2.99
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1H-indol-3-yl)-1-oxopropan-2-yl] benzoate
CID 42984005
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 6-methoxypyridine-3-carboxylate
CID 40753077
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 46790132
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7789907
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 7797163
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate
CID 8765061
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate
CID 8765059
[(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] 2-(methylamino)benzoate
CID 42901001
[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] 3-aminopyrazine-2-carboxylate
CID 41379117
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] quinoxaline-2-carboxylate
CID 30060169

Frequently Asked Questions

What is the IUPAC name of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] pyridine-3-carboxylate?
The IUPAC name of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] pyridine-3-carboxylate (CID 43001103) is [1-(1H-indol-3-yl)-1-oxopropan-2-yl] pyridine-3-carboxylate.
What is the SMILES notation for [1-(1H-indol-3-yl)-1-oxopropan-2-yl] pyridine-3-carboxylate?
The canonical SMILES for [1-(1H-indol-3-yl)-1-oxopropan-2-yl] pyridine-3-carboxylate is CC(OC(=O)c1cccnc1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] pyridine-3-carboxylate?
The InChIKey is RKQMOTLMEBHUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-11(22-17(21)12-5-4-8-18-9-12)16(20)14-10-19-15-7-3-2-6-13(14)15/h2-11,19H,1H3.
What are the key properties of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] pyridine-3-carboxylate?
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] pyridine-3-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-indol-3-yl)-1-oxopropan-2-yl] pyridine-3-carboxylate is sourced from PubChem (CID 43001103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).