2-(4-chlorophenoxy)-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]acetamide

C19H20ClN3O4 — CID 45498166

IUPAC2-(4-chlorophenoxy)-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]acetamide
SMILESCn1cc(C(=O)N2CCCC2)cc(NC(=O)COc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C19H20ClN3O4/c1-22-11-13(18(25)23-8-2-3-9-23)10-16(19(22)26)21-17(24)12-27-15-6-4-14(20)5-7-15/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,21,24)
InChIKeyCTSCRDCEVLIJDK-UHFFFAOYSA-N
MW389.84 g/mol
LogP2.29
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]acetamide

2-(4-chlorophenoxy)-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]acetamide (PubChem CID 45498166) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]acetamide
PubChem CID45498166
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC Name2-(4-chlorophenoxy)-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]acetamide
SMILESCn1cc(C(=O)N2CCCC2)cc(NC(=O)COc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C19H20ClN3O4/c1-22-11-13(18(25)23-8-2-3-9-23)10-16(19(22)26)21-17(24)12-27-15-6-4-14(20)5-7-15/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,21,24)
InChIKeyCTSCRDCEVLIJDK-UHFFFAOYSA-N
XLogP2.29
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]acetamide (CID 45498166) is 2-(4-chlorophenoxy)-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]acetamide is Cn1cc(C(=O)N2CCCC2)cc(NC(=O)COc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is CTSCRDCEVLIJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c1-22-11-13(18(25)23-8-2-3-9-23)10-16(19(22)26)21-17(24)12-27-15-6-4-14(20)5-7-15/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,21,24).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]acetamide?
2-(4-chlorophenoxy)-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 389.84 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 45498166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).