1-[(2-methoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

C20H23N3O3 — CID 3243598

IUPAC1-[(2-methoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCOc1ccccc1CN1C(=O)CCC1(C)C(=O)NCc1cccnc1
InChIInChI=1S/C20H23N3O3/c1-20(19(25)22-13-15-6-5-11-21-12-15)10-9-18(24)23(20)14-16-7-3-4-8-17(16)26-2/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,22,25)
InChIKeyUOPJFDMAFDLZKQ-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.29
Rot. Bonds6

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

1-[(2-methoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 3243598) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID3243598
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-[(2-methoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCOc1ccccc1CN1C(=O)CCC1(C)C(=O)NCc1cccnc1
InChIInChI=1S/C20H23N3O3/c1-20(19(25)22-13-15-6-5-11-21-12-15)10-9-18(24)23(20)14-16-7-3-4-8-17(16)26-2/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,22,25)
InChIKeyUOPJFDMAFDLZKQ-UHFFFAOYSA-N
XLogP2.29
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (CID 3243598) is 1-[(2-methoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is COc1ccccc1CN1C(=O)CCC1(C)C(=O)NCc1cccnc1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is UOPJFDMAFDLZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-20(19(25)22-13-15-6-5-11-21-12-15)10-9-18(24)23(20)14-16-7-3-4-8-17(16)26-2/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,22,25).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
1-[(2-methoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 3243598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).