4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide

C18H22N2O — CID 86932717

IUPAC4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCN(Cc1cccnc1)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H22N2O/c1-18(2,3)16-9-7-15(8-10-16)17(21)20(4)13-14-6-5-11-19-12-14/h5-12H,13H2,1-4H3
InChIKeyBUBKOTUDRIKEHR-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.65
Rot. Bonds3

About 4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide

4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 86932717) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID86932717
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCN(Cc1cccnc1)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H22N2O/c1-18(2,3)16-9-7-15(8-10-16)17(21)20(4)13-14-6-5-11-19-12-14/h5-12H,13H2,1-4H3
InChIKeyBUBKOTUDRIKEHR-UHFFFAOYSA-N
XLogP3.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43397555
4-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86977207
3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103891587
6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463472
3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103734687
3,5-dimethoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 6734292
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 78770854
5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 78880740
2-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 115116120
4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 99955818
N-methyl-6-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 78872697
N-methyl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 43397556

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide (CID 86932717) is 4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide is CN(Cc1cccnc1)C(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is BUBKOTUDRIKEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-18(2,3)16-9-7-15(8-10-16)17(21)20(4)13-14-6-5-11-19-12-14/h5-12H,13H2,1-4H3.
What are the key properties of 4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 86932717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).