ethyl 2-[(6,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-4-ethenylpyridine-3-carboxylate

C20H22N2O3 — CID 90167198

IUPACethyl 2-[(6,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-4-ethenylpyridine-3-carboxylate
SMILESC=Cc1ccnc(OC2c3ncccc3CC2(C)C)c1C(=O)OCC
InChIInChI=1S/C20H22N2O3/c1-5-13-9-11-22-18(15(13)19(23)24-6-2)25-17-16-14(8-7-10-21-16)12-20(17,3)4/h5,7-11,17H,1,6,12H2,2-4H3
InChIKeyOZWLZAKKRKQDEA-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.00
Rot. Bonds5

About ethyl 2-[(6,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-4-ethenylpyridine-3-carboxylate

ethyl 2-[(6,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-4-ethenylpyridine-3-carboxylate (PubChem CID 90167198) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is ethyl 2-[(6,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-4-ethenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(6,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-4-ethenylpyridine-3-carboxylate
PubChem CID90167198
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Nameethyl 2-[(6,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-4-ethenylpyridine-3-carboxylate
SMILESC=Cc1ccnc(OC2c3ncccc3CC2(C)C)c1C(=O)OCC
InChIInChI=1S/C20H22N2O3/c1-5-13-9-11-22-18(15(13)19(23)24-6-2)25-17-16-14(8-7-10-21-16)12-20(17,3)4/h5,7-11,17H,1,6,12H2,2-4H3
InChIKeyOZWLZAKKRKQDEA-UHFFFAOYSA-N
XLogP4.00
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(6,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-4-ethenylpyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 2-(2,2-difluorobutoxy)-4-ethenylpyridine-3-carboxylate;ethyl 2-(2,2-difluorobutoxy)-4-formylpyridine-3-carboxylate
CID 158253204
ethyl 4-ethenyl-2-(2-fluoro-6-methoxyphenoxy)pyridine-3-carboxylate
CID 90167103
ethyl 4-ethenyl-2-(4-ethyl-2-fluorophenoxy)pyridine-3-carboxylate
CID 90166931
ethyl 4-ethenyl-2-[2-fluoro-4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 90166894
ethyl 2-(4-cyano-2-fluoro-6-methylphenoxy)-4-ethenylpyridine-3-carboxylate
CID 90167196
ethyl 2-[5-(cyanomethyl)-2-fluorophenoxy]-4-ethenylpyridine-3-carboxylate
CID 90167127
6,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-7-amine
CID 112714214
ethyl 2-ethenyl-4-iodopyridine-3-carboxylate
CID 121321231
ethyl 2-(azetidin-3-yloxy)pyridine-3-carboxylate
CID 63105364
ethyl 8-hydroxy-5,6,7,8-tetrahydroquinoline-6-carboxylate
CID 86614352
ethyl 5-oxo-6-prop-2-enyl-7H-cyclopenta[b]pyridine-6-carboxylate
CID 146276960
diethyl 4-(2-methoxy-3-pyridinyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 51058185

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-4-ethenylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-[(6,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-4-ethenylpyridine-3-carboxylate (CID 90167198) is ethyl 2-[(6,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-4-ethenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[(6,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-4-ethenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[(6,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-4-ethenylpyridine-3-carboxylate is C=Cc1ccnc(OC2c3ncccc3CC2(C)C)c1C(=O)OCC.
What is the InChIKey of ethyl 2-[(6,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-4-ethenylpyridine-3-carboxylate?
The InChIKey is OZWLZAKKRKQDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-5-13-9-11-22-18(15(13)19(23)24-6-2)25-17-16-14(8-7-10-21-16)12-20(17,3)4/h5,7-11,17H,1,6,12H2,2-4H3.
What are the key properties of ethyl 2-[(6,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-4-ethenylpyridine-3-carboxylate?
ethyl 2-[(6,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-4-ethenylpyridine-3-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-4-ethenylpyridine-3-carboxylate is sourced from PubChem (CID 90167198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).