3-methoxy-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzamide

C21H20N2O2 — CID 53148255

IUPAC3-methoxy-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2cccnc2-c2ccc(C)cc2)c1
InChIInChI=1S/C21H20N2O2/c1-15-8-10-16(11-9-15)20-18(6-4-12-22-20)14-23-21(24)17-5-3-7-19(13-17)25-2/h3-13H,14H2,1-2H3,(H,23,24)
InChIKeyZIJOIMJBPMUDMF-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.00
Rot. Bonds5

About 3-methoxy-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzamide

3-methoxy-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzamide (PubChem CID 53148255) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-methoxy-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzamide
PubChem CID53148255
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name3-methoxy-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2cccnc2-c2ccc(C)cc2)c1
InChIInChI=1S/C21H20N2O2/c1-15-8-10-16(11-9-15)20-18(6-4-12-22-20)14-23-21(24)17-5-3-7-19(13-17)25-2/h3-13H,14H2,1-2H3,(H,23,24)
InChIKeyZIJOIMJBPMUDMF-UHFFFAOYSA-N
XLogP4.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide
CID 53148201
2-methoxy-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide
CID 53148183
3-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 28568439
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263
3-methoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide
CID 17336615
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide
CID 122275401
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166266
4-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275224
3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 9142461
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide
CID 24650010

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 3-methoxy-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzamide (CID 53148255) is 3-methoxy-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 3-methoxy-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzamide is COc1cccc(C(=O)NCc2cccnc2-c2ccc(C)cc2)c1.
What is the InChIKey of 3-methoxy-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzamide?
The InChIKey is ZIJOIMJBPMUDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-15-8-10-16(11-9-15)20-18(6-4-12-22-20)14-23-21(24)17-5-3-7-19(13-17)25-2/h3-13H,14H2,1-2H3,(H,23,24).
What are the key properties of 3-methoxy-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzamide?
3-methoxy-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzamide has a molecular weight of 332.40 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 53148255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).