[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(dimethylamino)pyridine-4-carboxylate

C19H21N3O3 — CID 56812902

IUPAC[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(dimethylamino)pyridine-4-carboxylate
SMILESCC(OC(=O)c1ccnc(N(C)C)c1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C19H21N3O3/c1-13(18(23)22-11-9-14-6-4-5-7-16(14)22)25-19(24)15-8-10-20-17(12-15)21(2)3/h4-8,10,12-13H,9,11H2,1-3H3
InChIKeyYESKRZDVAZYYFJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.28
Rot. Bonds4

About [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(dimethylamino)pyridine-4-carboxylate

[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(dimethylamino)pyridine-4-carboxylate (PubChem CID 56812902) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(dimethylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Name[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(dimethylamino)pyridine-4-carboxylate
PubChem CID56812902
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(dimethylamino)pyridine-4-carboxylate
SMILESCC(OC(=O)c1ccnc(N(C)C)c1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C19H21N3O3/c1-13(18(23)22-11-9-14-6-4-5-7-16(14)22)25-19(24)15-8-10-20-17(12-15)21(2)3/h4-8,10,12-13H,9,11H2,1-3H3
InChIKeyYESKRZDVAZYYFJ-UHFFFAOYSA-N
XLogP2.28
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 7889723
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] benzoate
CID 2661512
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 2661530
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 18192249
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate
CID 16523585
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 2661473
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-methylsulfonylbenzoate
CID 51485336
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-ethoxy-4-methoxybenzoate
CID 7558649
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(2-methylpropoxy)benzoate
CID 18289324
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate
CID 18080808
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 42898545
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-nitrobenzoate
CID 7834867

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(dimethylamino)pyridine-4-carboxylate?
The IUPAC name of [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(dimethylamino)pyridine-4-carboxylate (CID 56812902) is [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(dimethylamino)pyridine-4-carboxylate.
What is the SMILES notation for [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(dimethylamino)pyridine-4-carboxylate?
The canonical SMILES for [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(dimethylamino)pyridine-4-carboxylate is CC(OC(=O)c1ccnc(N(C)C)c1)C(=O)N1CCc2ccccc21.
What is the InChIKey of [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(dimethylamino)pyridine-4-carboxylate?
The InChIKey is YESKRZDVAZYYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13(18(23)22-11-9-14-6-4-5-7-16(14)22)25-19(24)15-8-10-20-17(12-15)21(2)3/h4-8,10,12-13H,9,11H2,1-3H3.
What are the key properties of [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(dimethylamino)pyridine-4-carboxylate?
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(dimethylamino)pyridine-4-carboxylate has a molecular weight of 339.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(dimethylamino)pyridine-4-carboxylate is sourced from PubChem (CID 56812902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).