[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

C19H20N2O4 — CID 2645846

IUPAC[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C19H20N2O4/c1-2-24-18-16(7-4-10-20-18)19(23)25-12-17(22)21-15-9-8-13-5-3-6-14(13)11-15/h4,7-11H,2-3,5-6,12H2,1H3,(H,21,22)
InChIKeyUHOKYDOEYYJSNV-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.76
Rot. Bonds6

About [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (PubChem CID 2645846) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
PubChem CID2645846
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C19H20N2O4/c1-2-24-18-16(7-4-10-20-18)19(23)25-12-17(22)21-15-9-8-13-5-3-6-14(13)11-15/h4,7-11H,2-3,5-6,12H2,1H3,(H,21,22)
InChIKeyUHOKYDOEYYJSNV-UHFFFAOYSA-N
XLogP2.76
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The IUPAC name of [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (CID 2645846) is [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCC(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The InChIKey is UHOKYDOEYYJSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-24-18-16(7-4-10-20-18)19(23)25-12-17(22)21-15-9-8-13-5-3-6-14(13)11-15/h4,7-11H,2-3,5-6,12H2,1H3,(H,21,22).
What are the key properties of [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 2645846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).