1-[2-(2-methoxyphenoxy)ethyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C20H23N3O4 — CID 75490757

IUPAC1-[2-(2-methoxyphenoxy)ethyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCOc1ccccc1OCCN1CC(C(=O)NCc2cccnc2)CC1=O
InChIInChI=1S/C20H23N3O4/c1-26-17-6-2-3-7-18(17)27-10-9-23-14-16(11-19(23)24)20(25)22-13-15-5-4-8-21-12-15/h2-8,12,16H,9-11,13-14H2,1H3,(H,22,25)
InChIKeyKRKRFGJSVAREAO-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.63
Rot. Bonds8

About 1-[2-(2-methoxyphenoxy)ethyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

1-[2-(2-methoxyphenoxy)ethyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 75490757) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenoxy)ethyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-methoxyphenoxy)ethyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID75490757
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name1-[2-(2-methoxyphenoxy)ethyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCOc1ccccc1OCCN1CC(C(=O)NCc2cccnc2)CC1=O
InChIInChI=1S/C20H23N3O4/c1-26-17-6-2-3-7-18(17)27-10-9-23-14-16(11-19(23)24)20(25)22-13-15-5-4-8-21-12-15/h2-8,12,16H,9-11,13-14H2,1H3,(H,22,25)
InChIKeyKRKRFGJSVAREAO-UHFFFAOYSA-N
XLogP1.63
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 46110110
(3S)-1-[2-(2-methoxyphenoxy)ethyl]-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 97496449
N-[3-(2-methoxyphenyl)propyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 74233936
N-(1,5-dimethylpyrazol-3-yl)-1-[2-(2-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 75488960
(3S)-1-[2-(2-methoxyphenoxy)ethyl]-5-oxo-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 97496755
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72900787
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 46110109
N-[(3,4-dimethoxyphenyl)methyl]-5-oxo-1-propylpyrrolidine-3-carboxamide
CID 113181947
(3S)-1-(2-methoxyethyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 94046070
N-[(3-methoxyphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51153764
1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113182010
methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 42579837

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 75490757) is 1-[2-(2-methoxyphenoxy)ethyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-methoxyphenoxy)ethyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-methoxyphenoxy)ethyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is COc1ccccc1OCCN1CC(C(=O)NCc2cccnc2)CC1=O.
What is the InChIKey of 1-[2-(2-methoxyphenoxy)ethyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is KRKRFGJSVAREAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-26-17-6-2-3-7-18(17)27-10-9-23-14-16(11-19(23)24)20(25)22-13-15-5-4-8-21-12-15/h2-8,12,16H,9-11,13-14H2,1H3,(H,22,25).
What are the key properties of 1-[2-(2-methoxyphenoxy)ethyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
1-[2-(2-methoxyphenoxy)ethyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenoxy)ethyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 75490757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).