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

C22H23N3O — CID 53148180

IUPAC4-(dimethylamino)-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide
SMILESCc1cccc(-c2ncccc2CNC(=O)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C22H23N3O/c1-16-6-4-7-18(14-16)21-19(8-5-13-23-21)15-24-22(26)17-9-11-20(12-10-17)25(2)3/h4-14H,15H2,1-3H3,(H,24,26)
InChIKeyQRUMSEBMMVDXDA-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.05
Rot. Bonds5

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

4-(dimethylamino)-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide (PubChem CID 53148180) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide
PubChem CID53148180
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name4-(dimethylamino)-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide
SMILESCc1cccc(-c2ncccc2CNC(=O)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C22H23N3O/c1-16-6-4-7-18(14-16)21-19(8-5-13-23-21)15-24-22(26)17-9-11-20(12-10-17)25(2)3/h4-14H,15H2,1-3H3,(H,24,26)
InChIKeyQRUMSEBMMVDXDA-UHFFFAOYSA-N
XLogP4.05
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.05
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
4-(dimethylamino)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 121177628
2-fluoro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide
CID 53148188
2-methoxy-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide
CID 53148183
4-(dimethylamino)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 110473275
3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166266
3-methoxy-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzamide
CID 53148255
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
2-[4-(dimethylamino)anilino]-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169807
4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 27515025
N-[[4-(dimethylamino)phenyl]methyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide
CID 50848231
N-[(3-methylphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 50847665

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide (CID 53148180) is 4-(dimethylamino)-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide is Cc1cccc(-c2ncccc2CNC(=O)c2ccc(N(C)C)cc2)c1.
What is the InChIKey of 4-(dimethylamino)-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide?
The InChIKey is QRUMSEBMMVDXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16-6-4-7-18(14-16)21-19(8-5-13-23-21)15-24-22(26)17-9-11-20(12-10-17)25(2)3/h4-14H,15H2,1-3H3,(H,24,26).
What are the key properties of 4-(dimethylamino)-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide?
4-(dimethylamino)-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide has a molecular weight of 345.45 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 53148180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).