3-[5-(3-methoxyphenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one

C18H18N2O3 — CID 71570123

IUPAC3-[5-(3-methoxyphenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one
SMILESCOc1cccc(-c2cncc(C(=O)C3CCN(C)C3=O)c2)c1
InChIInChI=1S/C18H18N2O3/c1-20-7-6-16(18(20)22)17(21)14-8-13(10-19-11-14)12-4-3-5-15(9-12)23-2/h3-5,8-11,16H,6-7H2,1-2H3
InChIKeyXUCGQILFZRWKBV-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.42
Rot. Bonds4

About 3-[5-(3-methoxyphenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one

3-[5-(3-methoxyphenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one (PubChem CID 71570123) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-[5-(3-methoxyphenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[5-(3-methoxyphenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one
PubChem CID71570123
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name3-[5-(3-methoxyphenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one
SMILESCOc1cccc(-c2cncc(C(=O)C3CCN(C)C3=O)c2)c1
InChIInChI=1S/C18H18N2O3/c1-20-7-6-16(18(20)22)17(21)14-8-13(10-19-11-14)12-4-3-5-15(9-12)23-2/h3-5,8-11,16H,6-7H2,1-2H3
InChIKeyXUCGQILFZRWKBV-UHFFFAOYSA-N
XLogP2.42
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-methoxyphenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[5-(3-methoxyphenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one (CID 71570123) is 3-[5-(3-methoxyphenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[5-(3-methoxyphenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[5-(3-methoxyphenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one is COc1cccc(-c2cncc(C(=O)C3CCN(C)C3=O)c2)c1.
What is the InChIKey of 3-[5-(3-methoxyphenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one?
The InChIKey is XUCGQILFZRWKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-20-7-6-16(18(20)22)17(21)14-8-13(10-19-11-14)12-4-3-5-15(9-12)23-2/h3-5,8-11,16H,6-7H2,1-2H3.
What are the key properties of 3-[5-(3-methoxyphenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one?
3-[5-(3-methoxyphenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one has a molecular weight of 310.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-methoxyphenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 71570123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).