4-methoxy-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)phenyl)benzamide

C21H16N2O4 — CID 49857911

IUPAC4-methoxy-N-[3-(2-oxo-2-pyridin-2-ylacetyl)phenyl]benzamide
SMILESCOC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)C(=O)C3=CC=CC=N3
InChIInChI=1S/C21H16N2O4/c1-27-17-10-8-14(9-11-17)21(26)23-16-6-4-5-15(13-16)19(24)20(25)18-7-2-3-12-22-18/h2-13H,1H3,(H,23,26)
InChIKeyYGYRHHWEACSNQF-UHFFFAOYSA-N
MW360.40 g/mol
LogP3.00
Rot. Bonds6

About 4-methoxy-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)phenyl)benzamide

4-methoxy-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)phenyl)benzamide (PubChem CID 49857911) has the molecular formula C21H16N2O4 and a molecular weight of 360.40 g/mol. Its IUPAC name is 4-methoxy-N-[3-(2-oxo-2-pyridin-2-ylacetyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)phenyl)benzamide
PubChem CID49857911
Molecular FormulaC21H16N2O4
Molecular Weight360.40 g/mol
Exact Mass360.11
IUPAC Name4-methoxy-N-[3-(2-oxo-2-pyridin-2-ylacetyl)phenyl]benzamide
SMILESCOC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)C(=O)C3=CC=CC=N3
InChIInChI=1S/C21H16N2O4/c1-27-17-10-8-14(9-11-17)21(26)23-16-6-4-5-15(13-16)19(24)20(25)18-7-2-3-12-22-18/h2-13H,1H3,(H,23,26)
InChIKeyYGYRHHWEACSNQF-UHFFFAOYSA-N
XLogP3.00
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity542

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)phenyl)benzamide?
The IUPAC name of 4-methoxy-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)phenyl)benzamide (CID 49857911) is 4-methoxy-N-[3-(2-oxo-2-pyridin-2-ylacetyl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)phenyl)benzamide?
The canonical SMILES for 4-methoxy-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)phenyl)benzamide is COC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)C(=O)C3=CC=CC=N3.
What is the InChIKey of 4-methoxy-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)phenyl)benzamide?
The InChIKey is YGYRHHWEACSNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c1-27-17-10-8-14(9-11-17)21(26)23-16-6-4-5-15(13-16)19(24)20(25)18-7-2-3-12-22-18/h2-13H,1H3,(H,23,26).
What are the key properties of 4-methoxy-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)phenyl)benzamide?
4-methoxy-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)phenyl)benzamide has a molecular weight of 360.40 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)phenyl)benzamide is sourced from PubChem (CID 49857911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).