ethyl 6-[2-[2-[2-(4-methylphenyl)ethyl]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate

C28H29NO2 — CID 143033845

IUPACethyl 6-[2-[2-[2-(4-methylphenyl)ethyl]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C2=C(c3ccccc3CCc3ccc(C)cc3)CCC2)n1
InChIInChI=1S/C28H29NO2/c1-3-31-28(30)27-13-7-12-26(29-27)25-11-6-10-24(25)23-9-5-4-8-22(23)19-18-21-16-14-20(2)15-17-21/h4-5,7-9,12-17H,3,6,10-11,18-19H2,1-2H3
InChIKeyMWTLNRLALROHGD-UHFFFAOYSA-N
MW411.55 g/mol
LogP6.45
Rot. Bonds7

About ethyl 6-[2-[2-[2-(4-methylphenyl)ethyl]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate

ethyl 6-[2-[2-[2-(4-methylphenyl)ethyl]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate (PubChem CID 143033845) has the molecular formula C28H29NO2 and a molecular weight of 411.55 g/mol. Its IUPAC name is ethyl 6-[2-[2-[2-(4-methylphenyl)ethyl]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[2-[2-[2-(4-methylphenyl)ethyl]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
PubChem CID143033845
Molecular FormulaC28H29NO2
Molecular Weight411.55 g/mol
Exact Mass411.22
IUPAC Nameethyl 6-[2-[2-[2-(4-methylphenyl)ethyl]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C2=C(c3ccccc3CCc3ccc(C)cc3)CCC2)n1
InChIInChI=1S/C28H29NO2/c1-3-31-28(30)27-13-7-12-26(29-27)25-11-6-10-24(25)23-9-5-4-8-22(23)19-18-21-16-14-20(2)15-17-21/h4-5,7-9,12-17H,3,6,10-11,18-19H2,1-2H3
InChIKeyMWTLNRLALROHGD-UHFFFAOYSA-N
XLogP6.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;ethyl 6-(2-bromocyclopenten-1-yl)pyridine-2-carboxylate
CID 143033870
ethyl 6-[2-(2-methylphenyl)cyclopenten-1-yl]pyrazine-2-carboxylate
CID 143034007
ethyl 6-[2-[2-[[2,4-bis(trifluoromethyl)phenyl]methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
CID 87629236
fluoro 6-[2-(2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylate
CID 143033766
(4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
CID 58887654
ethyl 6-[4-[4-[4-[2,6-bis(6-ethoxycarbonyl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]-6-(6-ethoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate
CID 177391937
ethyl 6-(6-bromo-2-pyridinyl)pyridine-2-carboxylate
CID 10892158
ethyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
CID 24800513
ethyl 6-[2-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-4-ium-2-yl]cyclopenten-1-yl]pyridine-2-carboxylate
CID 123901389
6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
CID 162114702
ethyl 6-(3-amino-5-methylphenyl)pyridine-2-carboxylate
CID 137423081
ethyl 2-(4-methylphenyl)benzoate
CID 10922668

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-[2-[2-(4-methylphenyl)ethyl]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[2-[2-[2-(4-methylphenyl)ethyl]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate (CID 143033845) is ethyl 6-[2-[2-[2-(4-methylphenyl)ethyl]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[2-[2-[2-(4-methylphenyl)ethyl]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[2-[2-[2-(4-methylphenyl)ethyl]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate is CCOC(=O)c1cccc(C2=C(c3ccccc3CCc3ccc(C)cc3)CCC2)n1.
What is the InChIKey of ethyl 6-[2-[2-[2-(4-methylphenyl)ethyl]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate?
The InChIKey is MWTLNRLALROHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO2/c1-3-31-28(30)27-13-7-12-26(29-27)25-11-6-10-24(25)23-9-5-4-8-22(23)19-18-21-16-14-20(2)15-17-21/h4-5,7-9,12-17H,3,6,10-11,18-19H2,1-2H3.
What are the key properties of ethyl 6-[2-[2-[2-(4-methylphenyl)ethyl]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate?
ethyl 6-[2-[2-[2-(4-methylphenyl)ethyl]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate has a molecular weight of 411.55 g/mol, XLogP of 6.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-[2-[2-(4-methylphenyl)ethyl]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 143033845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).