4-(dimethylamino)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide

C21H28N4O — CID 55846067

IUPAC4-(dimethylamino)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide
SMILESCC1CCN(c2ccc(CNC(=O)c3ccc(N(C)C)cc3)cn2)CC1
InChIInChI=1S/C21H28N4O/c1-16-10-12-25(13-11-16)20-9-4-17(14-22-20)15-23-21(26)18-5-7-19(8-6-18)24(2)3/h4-9,14,16H,10-13,15H2,1-3H3,(H,23,26)
InChIKeyIIIOWUNVZKRRPH-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.31
Rot. Bonds5

About 4-(dimethylamino)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide

4-(dimethylamino)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide (PubChem CID 55846067) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide
PubChem CID55846067
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name4-(dimethylamino)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide
SMILESCC1CCN(c2ccc(CNC(=O)c3ccc(N(C)C)cc3)cn2)CC1
InChIInChI=1S/C21H28N4O/c1-16-10-12-25(13-11-16)20-9-4-17(14-22-20)15-23-21(26)18-5-7-19(8-6-18)24(2)3/h4-9,14,16H,10-13,15H2,1-3H3,(H,23,26)
InChIKeyIIIOWUNVZKRRPH-UHFFFAOYSA-N
XLogP3.31
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyridine-2,5-dicarboxamide
CID 86859111
N,N-dimethyl-4-[[[N'-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111875054
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
1-methyl-1-(3-methylcyclohexyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea
CID 112835433
2-[(4-methoxybenzoyl)amino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide
CID 55846478
4-(dimethylsulfamoyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528100
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 99817715
2-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55749921
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide
CID 55845832
1-ethyl-1-(2-hydroxyethyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea
CID 110896030
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 86974516

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide (CID 55846067) is 4-(dimethylamino)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide is CC1CCN(c2ccc(CNC(=O)c3ccc(N(C)C)cc3)cn2)CC1.
What is the InChIKey of 4-(dimethylamino)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide?
The InChIKey is IIIOWUNVZKRRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-16-10-12-25(13-11-16)20-9-4-17(14-22-20)15-23-21(26)18-5-7-19(8-6-18)24(2)3/h4-9,14,16H,10-13,15H2,1-3H3,(H,23,26).
What are the key properties of 4-(dimethylamino)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide?
4-(dimethylamino)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide has a molecular weight of 352.48 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 55846067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).