Methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate

C24H28N2O5 — CID 44352916

IUPACmethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate
SMILESCOC1=C(C=C(C=C1)C2(CCN(C2=O)C(=O)OC)CC3=CC=NC=C3)OC4CCCC4
InChIInChI=1S/C24H28N2O5/c1-29-20-8-7-18(15-21(20)31-19-5-3-4-6-19)24(16-17-9-12-25-13-10-17)11-14-26(22(24)27)23(28)30-2/h7-10,12-13,15,19H,3-6,11,14,16H2,1-2H3
InChIKeyZIFBKZGTLPKWNH-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.60
Rot. Bonds7

About Methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate

Methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate (PubChem CID 44352916) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound NameMethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate
PubChem CID44352916
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Namemethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate
SMILESCOC1=C(C=C(C=C1)C2(CCN(C2=O)C(=O)OC)CC3=CC=NC=C3)OC4CCCC4
InChIInChI=1S/C24H28N2O5/c1-29-20-8-7-18(15-21(20)31-19-5-3-4-6-19)24(16-17-9-12-25-13-10-17)11-14-26(22(24)27)23(28)30-2/h7-10,12-13,15,19H,3-6,11,14,16H2,1-2H3
InChIKeyZIFBKZGTLPKWNH-UHFFFAOYSA-N
XLogP3.60
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity631

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of Methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate?
The IUPAC name of Methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate (CID 44352916) is methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for Methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for Methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate is COC1=C(C=C(C=C1)C2(CCN(C2=O)C(=O)OC)CC3=CC=NC=C3)OC4CCCC4.
What is the InChIKey of Methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate?
The InChIKey is ZIFBKZGTLPKWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-29-20-8-7-18(15-21(20)31-19-5-3-4-6-19)24(16-17-9-12-25-13-10-17)11-14-26(22(24)27)23(28)30-2/h7-10,12-13,15,19H,3-6,11,14,16H2,1-2H3.
What are the key properties of Methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate?
Methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate has a molecular weight of 424.50 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 44352916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).