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

C21H20N2O — CID 53148201

IUPAC3-methyl-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide
SMILESCc1cccc(C(=O)NCc2cccnc2-c2cccc(C)c2)c1
InChIInChI=1S/C21H20N2O/c1-15-6-3-8-17(12-15)20-19(10-5-11-22-20)14-23-21(24)18-9-4-7-16(2)13-18/h3-13H,14H2,1-2H3,(H,23,24)
InChIKeyCQBLAYWXRUJYPQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.30
Rot. Bonds4

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

3-methyl-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide (PubChem CID 53148201) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-methyl-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide
PubChem CID53148201
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name3-methyl-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide
SMILESCc1cccc(C(=O)NCc2cccnc2-c2cccc(C)c2)c1
InChIInChI=1S/C21H20N2O/c1-15-6-3-8-17(12-15)20-19(10-5-11-22-20)14-23-21(24)18-9-4-7-16(2)13-18/h3-13H,14H2,1-2H3,(H,23,24)
InChIKeyCQBLAYWXRUJYPQ-UHFFFAOYSA-N
XLogP4.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(dimethylamino)-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide
CID 53148180
3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166266
2-fluoro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide
CID 53148188
2-methoxy-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide
CID 53148183
3-methoxy-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzamide
CID 53148255
N-[(3-methylphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 50847665
N-[(2-bromophenyl)methyl]-3-methylbenzamide
CID 60739134
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 107231351
3-cyano-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275220
3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methylphenyl)methyl]benzamide
CID 53148817
2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]benzamide
CID 126629412
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylbenzamide
CID 41439169

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 3-methyl-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide (CID 53148201) is 3-methyl-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 3-methyl-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 3-methyl-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide is Cc1cccc(C(=O)NCc2cccnc2-c2cccc(C)c2)c1.
What is the InChIKey of 3-methyl-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide?
The InChIKey is CQBLAYWXRUJYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-15-6-3-8-17(12-15)20-19(10-5-11-22-20)14-23-21(24)18-9-4-7-16(2)13-18/h3-13H,14H2,1-2H3,(H,23,24).
What are the key properties of 3-methyl-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide?
3-methyl-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide has a molecular weight of 316.40 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 53148201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).