ethyl 4-(2-ethylphenyl)-1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate

C20H22N2O3 — CID 121444678

IUPACethyl 4-(2-ethylphenyl)-1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c(-c3ccccc3CC)cn(C)c(=O)c2n1C
InChIInChI=1S/C20H22N2O3/c1-5-13-9-7-8-10-14(13)16-12-21(3)19(23)18-15(16)11-17(22(18)4)20(24)25-6-2/h7-12H,5-6H2,1-4H3
InChIKeyYYIYONZANDWFFP-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.28
Rot. Bonds4

About ethyl 4-(2-ethylphenyl)-1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate

ethyl 4-(2-ethylphenyl)-1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate (PubChem CID 121444678) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is ethyl 4-(2-ethylphenyl)-1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-ethylphenyl)-1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate
PubChem CID121444678
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Nameethyl 4-(2-ethylphenyl)-1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c(-c3ccccc3CC)cn(C)c(=O)c2n1C
InChIInChI=1S/C20H22N2O3/c1-5-13-9-7-8-10-14(13)16-12-21(3)19(23)18-15(16)11-17(22(18)4)20(24)25-6-2/h7-12H,5-6H2,1-4H3
InChIKeyYYIYONZANDWFFP-UHFFFAOYSA-N
XLogP3.28
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-ethylphenyl)-1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 4-(2-ethylphenyl)-1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate (CID 121444678) is ethyl 4-(2-ethylphenyl)-1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-(2-ethylphenyl)-1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 4-(2-ethylphenyl)-1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate is CCOC(=O)c1cc2c(-c3ccccc3CC)cn(C)c(=O)c2n1C.
What is the InChIKey of ethyl 4-(2-ethylphenyl)-1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate?
The InChIKey is YYIYONZANDWFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-5-13-9-7-8-10-14(13)16-12-21(3)19(23)18-15(16)11-17(22(18)4)20(24)25-6-2/h7-12H,5-6H2,1-4H3.
What are the key properties of ethyl 4-(2-ethylphenyl)-1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate?
ethyl 4-(2-ethylphenyl)-1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-ethylphenyl)-1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 121444678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).