2-(dimethylamino)ethyl 3-(pyridin-2-ylmethyl)-1H-indene-2-carboxylate

C20H22N2O2 — CID 11809446

IUPAC2-(dimethylamino)ethyl 3-(pyridin-2-ylmethyl)-1H-indene-2-carboxylate
SMILESCN(C)CCOC(=O)C1=C(Cc2ccccn2)c2ccccc2C1
InChIInChI=1S/C20H22N2O2/c1-22(2)11-12-24-20(23)19-13-15-7-3-4-9-17(15)18(19)14-16-8-5-6-10-21-16/h3-10H,11-14H2,1-2H3
InChIKeyRRBBABSWMAZZDG-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.74
Rot. Bonds6

About 2-(dimethylamino)ethyl 3-(pyridin-2-ylmethyl)-1H-indene-2-carboxylate

2-(dimethylamino)ethyl 3-(pyridin-2-ylmethyl)-1H-indene-2-carboxylate (PubChem CID 11809446) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 3-(pyridin-2-ylmethyl)-1H-indene-2-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 3-(pyridin-2-ylmethyl)-1H-indene-2-carboxylate
PubChem CID11809446
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-(dimethylamino)ethyl 3-(pyridin-2-ylmethyl)-1H-indene-2-carboxylate
SMILESCN(C)CCOC(=O)C1=C(Cc2ccccn2)c2ccccc2C1
InChIInChI=1S/C20H22N2O2/c1-22(2)11-12-24-20(23)19-13-15-7-3-4-9-17(15)18(19)14-16-8-5-6-10-21-16/h3-10H,11-14H2,1-2H3
InChIKeyRRBBABSWMAZZDG-UHFFFAOYSA-N
XLogP2.74
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 3-(pyridin-2-ylmethyl)-1H-indene-2-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 3-(pyridin-2-ylmethyl)-1H-indene-2-carboxylate (CID 11809446) is 2-(dimethylamino)ethyl 3-(pyridin-2-ylmethyl)-1H-indene-2-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 3-(pyridin-2-ylmethyl)-1H-indene-2-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 3-(pyridin-2-ylmethyl)-1H-indene-2-carboxylate is CN(C)CCOC(=O)C1=C(Cc2ccccn2)c2ccccc2C1.
What is the InChIKey of 2-(dimethylamino)ethyl 3-(pyridin-2-ylmethyl)-1H-indene-2-carboxylate?
The InChIKey is RRBBABSWMAZZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-22(2)11-12-24-20(23)19-13-15-7-3-4-9-17(15)18(19)14-16-8-5-6-10-21-16/h3-10H,11-14H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 3-(pyridin-2-ylmethyl)-1H-indene-2-carboxylate?
2-(dimethylamino)ethyl 3-(pyridin-2-ylmethyl)-1H-indene-2-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 3-(pyridin-2-ylmethyl)-1H-indene-2-carboxylate is sourced from PubChem (CID 11809446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).