3-cyano-N-[6-(dimethylamino)-3-pyridinyl]benzamide

C15H14N4O — CID 30272011

IUPAC3-cyano-N-[6-(dimethylamino)-3-pyridinyl]benzamide
SMILESCN(C)c1ccc(NC(=O)c2cccc(C#N)c2)cn1
InChIInChI=1S/C15H14N4O/c1-19(2)14-7-6-13(10-17-14)18-15(20)12-5-3-4-11(8-12)9-16/h3-8,10H,1-2H3,(H,18,20)
InChIKeyIRMCDWXQCNRUSO-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.27
Rot. Bonds3

About 3-cyano-N-[6-(dimethylamino)-3-pyridinyl]benzamide

3-cyano-N-[6-(dimethylamino)-3-pyridinyl]benzamide (PubChem CID 30272011) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-cyano-N-[6-(dimethylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[6-(dimethylamino)-3-pyridinyl]benzamide
PubChem CID30272011
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-cyano-N-[6-(dimethylamino)-3-pyridinyl]benzamide
SMILESCN(C)c1ccc(NC(=O)c2cccc(C#N)c2)cn1
InChIInChI=1S/C15H14N4O/c1-19(2)14-7-6-13(10-17-14)18-15(20)12-5-3-4-11(8-12)9-16/h3-8,10H,1-2H3,(H,18,20)
InChIKeyIRMCDWXQCNRUSO-UHFFFAOYSA-N
XLogP2.27
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-[6-(2-methoxyethoxy)-3-pyridinyl]benzamide
CID 43069880
3-cyano-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide
CID 122287309
3-cyano-N-[3-(dimethylamino)-4-methylphenyl]benzamide
CID 115377455
N-[6-(dimethylamino)-3-pyridinyl]-3-phenylmethoxybenzamide
CID 30271698
3-cyano-N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]benzamide
CID 53167933
3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 2649522
3-(cyanomethyl)-N-[6-[[3-(cyanomethyl)benzoyl]-methylamino]-3-pyridinyl]benzamide
CID 75390221
3-cyano-N-(5-methyl-3-pyridinyl)benzamide
CID 110727253
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
3-cyano-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 18143195
3-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile
CID 43782624
3-cyano-N-(5-methyl-3-pyridinyl)benzamide;ethane
CID 145349636

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[6-(dimethylamino)-3-pyridinyl]benzamide?
The IUPAC name of 3-cyano-N-[6-(dimethylamino)-3-pyridinyl]benzamide (CID 30272011) is 3-cyano-N-[6-(dimethylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-cyano-N-[6-(dimethylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 3-cyano-N-[6-(dimethylamino)-3-pyridinyl]benzamide is CN(C)c1ccc(NC(=O)c2cccc(C#N)c2)cn1.
What is the InChIKey of 3-cyano-N-[6-(dimethylamino)-3-pyridinyl]benzamide?
The InChIKey is IRMCDWXQCNRUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-19(2)14-7-6-13(10-17-14)18-15(20)12-5-3-4-11(8-12)9-16/h3-8,10H,1-2H3,(H,18,20).
What are the key properties of 3-cyano-N-[6-(dimethylamino)-3-pyridinyl]benzamide?
3-cyano-N-[6-(dimethylamino)-3-pyridinyl]benzamide has a molecular weight of 266.30 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[6-(dimethylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 30272011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).