2-(dimethylamino)ethyl 3-amino-1-(furan-2-yl)-9-oxoindeno[2,1-c]pyridine-4-carboxylate

C21H19N3O4 — CID 10249011

IUPAC2-(dimethylamino)ethyl 3-amino-1-(furan-2-yl)-9-oxoindeno[2,1-c]pyridine-4-carboxylate
SMILESCN(C)CCOC(=O)c1c(N)nc(-c2ccco2)c2c1-c1ccccc1C2=O
InChIInChI=1S/C21H19N3O4/c1-24(2)9-11-28-21(26)17-15-12-6-3-4-7-13(12)19(25)16(15)18(23-20(17)22)14-8-5-10-27-14/h3-8,10H,9,11H2,1-2H3,(H2,22,23)
InChIKeyOOGRGGUFYAANLW-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.85
Rot. Bonds5

About 2-(dimethylamino)ethyl 3-amino-1-(furan-2-yl)-9-oxoindeno[2,1-c]pyridine-4-carboxylate

2-(dimethylamino)ethyl 3-amino-1-(furan-2-yl)-9-oxoindeno[2,1-c]pyridine-4-carboxylate (PubChem CID 10249011) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 3-amino-1-(furan-2-yl)-9-oxoindeno[2,1-c]pyridine-4-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 3-amino-1-(furan-2-yl)-9-oxoindeno[2,1-c]pyridine-4-carboxylate
PubChem CID10249011
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name2-(dimethylamino)ethyl 3-amino-1-(furan-2-yl)-9-oxoindeno[2,1-c]pyridine-4-carboxylate
SMILESCN(C)CCOC(=O)c1c(N)nc(-c2ccco2)c2c1-c1ccccc1C2=O
InChIInChI=1S/C21H19N3O4/c1-24(2)9-11-28-21(26)17-15-12-6-3-4-7-13(12)19(25)16(15)18(23-20(17)22)14-8-5-10-27-14/h3-8,10H,9,11H2,1-2H3,(H2,22,23)
InChIKeyOOGRGGUFYAANLW-UHFFFAOYSA-N
XLogP2.85
TPSA98.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 3-amino-1-(furan-2-yl)-9-oxoindeno[2,1-c]pyridine-4-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 3-amino-1-(furan-2-yl)-9-oxoindeno[2,1-c]pyridine-4-carboxylate (CID 10249011) is 2-(dimethylamino)ethyl 3-amino-1-(furan-2-yl)-9-oxoindeno[2,1-c]pyridine-4-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 3-amino-1-(furan-2-yl)-9-oxoindeno[2,1-c]pyridine-4-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 3-amino-1-(furan-2-yl)-9-oxoindeno[2,1-c]pyridine-4-carboxylate is CN(C)CCOC(=O)c1c(N)nc(-c2ccco2)c2c1-c1ccccc1C2=O.
What is the InChIKey of 2-(dimethylamino)ethyl 3-amino-1-(furan-2-yl)-9-oxoindeno[2,1-c]pyridine-4-carboxylate?
The InChIKey is OOGRGGUFYAANLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-24(2)9-11-28-21(26)17-15-12-6-3-4-7-13(12)19(25)16(15)18(23-20(17)22)14-8-5-10-27-14/h3-8,10H,9,11H2,1-2H3,(H2,22,23).
What are the key properties of 2-(dimethylamino)ethyl 3-amino-1-(furan-2-yl)-9-oxoindeno[2,1-c]pyridine-4-carboxylate?
2-(dimethylamino)ethyl 3-amino-1-(furan-2-yl)-9-oxoindeno[2,1-c]pyridine-4-carboxylate has a molecular weight of 377.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 3-amino-1-(furan-2-yl)-9-oxoindeno[2,1-c]pyridine-4-carboxylate is sourced from PubChem (CID 10249011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).