N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-2-(2-methylphenoxy)acetamide

C20H23N3O4 — CID 45498171

IUPACN-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1cc(C(=O)N2CCCC2)cn(C)c1=O
InChIInChI=1S/C20H23N3O4/c1-14-7-3-4-8-17(14)27-13-18(24)21-16-11-15(12-22(2)20(16)26)19(25)23-9-5-6-10-23/h3-4,7-8,11-12H,5-6,9-10,13H2,1-2H3,(H,21,24)
InChIKeyHDESYZHTQAEDLX-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.95
Rot. Bonds5

About N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-2-(2-methylphenoxy)acetamide

N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-2-(2-methylphenoxy)acetamide (PubChem CID 45498171) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-2-(2-methylphenoxy)acetamide
PubChem CID45498171
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1cc(C(=O)N2CCCC2)cn(C)c1=O
InChIInChI=1S/C20H23N3O4/c1-14-7-3-4-8-17(14)27-13-18(24)21-16-11-15(12-22(2)20(16)26)19(25)23-9-5-6-10-23/h3-4,7-8,11-12H,5-6,9-10,13H2,1-2H3,(H,21,24)
InChIKeyHDESYZHTQAEDLX-UHFFFAOYSA-N
XLogP1.95
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-2-(2-methylphenoxy)acetamide (CID 45498171) is N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1cc(C(=O)N2CCCC2)cn(C)c1=O.
What is the InChIKey of N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is HDESYZHTQAEDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-14-7-3-4-8-17(14)27-13-18(24)21-16-11-15(12-22(2)20(16)26)19(25)23-9-5-6-10-23/h3-4,7-8,11-12H,5-6,9-10,13H2,1-2H3,(H,21,24).
What are the key properties of N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-2-(2-methylphenoxy)acetamide?
N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 369.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 45498171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).