3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide

C16H15N3O — CID 78838350

IUPAC3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2cccc(C#N)c2)c(C)n1
InChIInChI=1S/C16H15N3O/c1-10-7-11(2)18-12(3)15(10)19-16(20)14-6-4-5-13(8-14)9-17/h4-8H,1-3H3,(H,19,20)
InChIKeyGSUBNRJMUGQUCY-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.13
Rot. Bonds2

About 3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide

3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide (PubChem CID 78838350) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
PubChem CID78838350
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2cccc(C#N)c2)c(C)n1
InChIInChI=1S/C16H15N3O/c1-10-7-11(2)18-12(3)15(10)19-16(20)14-6-4-5-13(8-14)9-17/h4-8H,1-3H3,(H,19,20)
InChIKeyGSUBNRJMUGQUCY-UHFFFAOYSA-N
XLogP3.13
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide
CID 122302755
3-cyano-N-(2,6-dichlorophenyl)benzamide
CID 43386585
3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 7770854
N-(6-amino-2,3-dimethylphenyl)-3-cyanobenzamide
CID 43548048
3-cyano-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 24709345
3-(diethylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838749
3-cyano-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 103600288
methyl 4-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzoate
CID 78838290
N-(3-amino-4-methylphenyl)-3-cyanobenzamide
CID 24707349
N-(5-chloro-2-methylphenyl)-3-cyanobenzamide
CID 7719573
N-(4-bromo-2-methylphenyl)-3-cyanobenzamide
CID 18777750
3-cyano-N-(5-methyl-3-pyridinyl)benzamide
CID 110727253

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide?
The IUPAC name of 3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide (CID 78838350) is 3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide.
What is the SMILES notation for 3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide?
The canonical SMILES for 3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide is Cc1cc(C)c(NC(=O)c2cccc(C#N)c2)c(C)n1.
What is the InChIKey of 3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide?
The InChIKey is GSUBNRJMUGQUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-7-11(2)18-12(3)15(10)19-16(20)14-6-4-5-13(8-14)9-17/h4-8H,1-3H3,(H,19,20).
What are the key properties of 3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide?
3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide has a molecular weight of 265.32 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide is sourced from PubChem (CID 78838350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).