2,6-dimethyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide

C21H20N2O2 — CID 71150049

IUPAC2,6-dimethyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide
SMILESCc1cccc(C)c1C(=O)NCc1ccc(-c2cc[nH]c(=O)c2)cc1
InChIInChI=1S/C21H20N2O2/c1-14-4-3-5-15(2)20(14)21(25)23-13-16-6-8-17(9-7-16)18-10-11-22-19(24)12-18/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyZTQCTWHLFXVYGO-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.59
Rot. Bonds4

About 2,6-dimethyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide

2,6-dimethyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide (PubChem CID 71150049) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2,6-dimethyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide
PubChem CID71150049
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name2,6-dimethyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide
SMILESCc1cccc(C)c1C(=O)NCc1ccc(-c2cc[nH]c(=O)c2)cc1
InChIInChI=1S/C21H20N2O2/c1-14-4-3-5-15(2)20(14)21(25)23-13-16-6-8-17(9-7-16)18-10-11-22-19(24)12-18/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyZTQCTWHLFXVYGO-UHFFFAOYSA-N
XLogP3.59
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide?
The IUPAC name of 2,6-dimethyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide (CID 71150049) is 2,6-dimethyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,6-dimethyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide?
The canonical SMILES for 2,6-dimethyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide is Cc1cccc(C)c1C(=O)NCc1ccc(-c2cc[nH]c(=O)c2)cc1.
What is the InChIKey of 2,6-dimethyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide?
The InChIKey is ZTQCTWHLFXVYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-14-4-3-5-15(2)20(14)21(25)23-13-16-6-8-17(9-7-16)18-10-11-22-19(24)12-18/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2,6-dimethyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide?
2,6-dimethyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide has a molecular weight of 332.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 71150049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).