3-cyano-N-(5-methyl-3-pyridinyl)benzamide;ethane

C16H17N3O — CID 145349636

IUPAC3-cyano-N-(5-methyl-3-pyridinyl)benzamide;ethane
SMILESCC.Cc1cncc(NC(=O)c2cccc(C#N)c2)c1
InChIInChI=1S/C14H11N3O.C2H6/c1-10-5-13(9-16-8-10)17-14(18)12-4-2-3-11(6-12)7-15;1-2/h2-6,8-9H,1H3,(H,17,18);1-2H3
InChIKeyWMUJQDWPVWFDGA-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.54
Rot. Bonds2

About 3-cyano-N-(5-methyl-3-pyridinyl)benzamide;ethane

3-cyano-N-(5-methyl-3-pyridinyl)benzamide;ethane (PubChem CID 145349636) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-cyano-N-(5-methyl-3-pyridinyl)benzamide;ethane.

Molecular Properties

Compound Name3-cyano-N-(5-methyl-3-pyridinyl)benzamide;ethane
PubChem CID145349636
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3-cyano-N-(5-methyl-3-pyridinyl)benzamide;ethane
SMILESCC.Cc1cncc(NC(=O)c2cccc(C#N)c2)c1
InChIInChI=1S/C14H11N3O.C2H6/c1-10-5-13(9-16-8-10)17-14(18)12-4-2-3-11(6-12)7-15;1-2/h2-6,8-9H,1H3,(H,17,18);1-2H3
InChIKeyWMUJQDWPVWFDGA-UHFFFAOYSA-N
XLogP3.54
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(5-methyl-3-pyridinyl)benzamide
CID 110727253
3-cyano-N-(5-phenyl-3-pyridinyl)benzamide
CID 110713713
3-cyano-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide
CID 58349136
N-(3-amino-4-methylphenyl)-3-cyanobenzamide
CID 24707349
4-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 110727246
N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245786
3-[(5-methyl-3-pyridinyl)amino]benzonitrile
CID 71051336
3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 31520219
3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 2649522
N-(5-bromo-3-pyridinyl)-3-methylbenzamide
CID 110869014
5-[(3-cyanobenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 10448085
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(5-methyl-3-pyridinyl)benzamide;ethane?
The IUPAC name of 3-cyano-N-(5-methyl-3-pyridinyl)benzamide;ethane (CID 145349636) is 3-cyano-N-(5-methyl-3-pyridinyl)benzamide;ethane.
What is the SMILES notation for 3-cyano-N-(5-methyl-3-pyridinyl)benzamide;ethane?
The canonical SMILES for 3-cyano-N-(5-methyl-3-pyridinyl)benzamide;ethane is CC.Cc1cncc(NC(=O)c2cccc(C#N)c2)c1.
What is the InChIKey of 3-cyano-N-(5-methyl-3-pyridinyl)benzamide;ethane?
The InChIKey is WMUJQDWPVWFDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O.C2H6/c1-10-5-13(9-16-8-10)17-14(18)12-4-2-3-11(6-12)7-15;1-2/h2-6,8-9H,1H3,(H,17,18);1-2H3.
What are the key properties of 3-cyano-N-(5-methyl-3-pyridinyl)benzamide;ethane?
3-cyano-N-(5-methyl-3-pyridinyl)benzamide;ethane has a molecular weight of 267.33 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(5-methyl-3-pyridinyl)benzamide;ethane is sourced from PubChem (CID 145349636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).