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

C21H20N2O2 — CID 172754619

IUPAC2,6-dimethyl-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide
SMILESCc1cccc(C)c1C(=O)NCc1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C21H20N2O2/c1-15-6-5-7-16(2)20(15)21(25)22-14-17-9-11-18(12-10-17)23-13-4-3-8-19(23)24/h3-13H,14H2,1-2H3,(H,22,25)
InChIKeyKVQRORFXCHLDRX-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.38
Rot. Bonds4

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

2,6-dimethyl-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide (PubChem CID 172754619) 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-1-pyridinyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide
PubChem CID172754619
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name2,6-dimethyl-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide
SMILESCc1cccc(C)c1C(=O)NCc1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C21H20N2O2/c1-15-6-5-7-16(2)20(15)21(25)22-14-17-9-11-18(12-10-17)23-13-4-3-8-19(23)24/h3-13H,14H2,1-2H3,(H,22,25)
InChIKeyKVQRORFXCHLDRX-UHFFFAOYSA-N
XLogP3.38
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-3,6-difluoro-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide
CID 172717976
4-[[(2,6-dimethylbenzoyl)amino]methyl]benzoic acid
CID 103925447
2-amino-6-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 16782894
2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylbenzamide
CID 107229451
1-methyl-N-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxamide
CID 97244759
2-amino-N-[(4-bromophenyl)methyl]-6-methylbenzamide
CID 16781523
N-[(3-hydroxyphenyl)methyl]-2,6-dimethylbenzamide
CID 103769243
1-(4-methylphenyl)pyridin-2-one
CID 10821386
1-(4-fluorophenyl)-4-methyl-2-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 172658394
N-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide
CID 107999896
1-(4-benzamidophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 53119434
2,6-difluoro-N-[(4-methylphenyl)methyl]benzamide
CID 8781288

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide?
The IUPAC name of 2,6-dimethyl-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide (CID 172754619) is 2,6-dimethyl-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,6-dimethyl-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide?
The canonical SMILES for 2,6-dimethyl-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide is Cc1cccc(C)c1C(=O)NCc1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of 2,6-dimethyl-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide?
The InChIKey is KVQRORFXCHLDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-15-6-5-7-16(2)20(15)21(25)22-14-17-9-11-18(12-10-17)23-13-4-3-8-19(23)24/h3-13H,14H2,1-2H3,(H,22,25).
What are the key properties of 2,6-dimethyl-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide?
2,6-dimethyl-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide has a molecular weight of 332.40 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide is sourced from PubChem (CID 172754619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).