3-(cyanomethyl)-N-[6-[[3-(cyanomethyl)benzoyl]-methylamino]-3-pyridinyl]benzamide

C24H19N5O2 — CID 75390221

IUPAC3-(cyanomethyl)-N-[6-[[3-(cyanomethyl)benzoyl]-methylamino]-3-pyridinyl]benzamide
SMILESCN(C(=O)c1cccc(CC#N)c1)c1ccc(NC(=O)c2cccc(CC#N)c2)cn1
InChIInChI=1S/C24H19N5O2/c1-29(24(31)20-7-3-5-18(15-20)11-13-26)22-9-8-21(16-27-22)28-23(30)19-6-2-4-17(14-19)10-12-25/h2-9,14-16H,10-11H2,1H3,(H,28,30)
InChIKeyCXZIGFZDJFOHLB-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.74
Rot. Bonds6

About 3-(cyanomethyl)-N-[6-[[3-(cyanomethyl)benzoyl]-methylamino]-3-pyridinyl]benzamide

3-(cyanomethyl)-N-[6-[[3-(cyanomethyl)benzoyl]-methylamino]-3-pyridinyl]benzamide (PubChem CID 75390221) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 3-(cyanomethyl)-N-[6-[[3-(cyanomethyl)benzoyl]-methylamino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-(cyanomethyl)-N-[6-[[3-(cyanomethyl)benzoyl]-methylamino]-3-pyridinyl]benzamide
PubChem CID75390221
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name3-(cyanomethyl)-N-[6-[[3-(cyanomethyl)benzoyl]-methylamino]-3-pyridinyl]benzamide
SMILESCN(C(=O)c1cccc(CC#N)c1)c1ccc(NC(=O)c2cccc(CC#N)c2)cn1
InChIInChI=1S/C24H19N5O2/c1-29(24(31)20-7-3-5-18(15-20)11-13-26)22-9-8-21(16-27-22)28-23(30)19-6-2-4-17(14-19)10-12-25/h2-9,14-16H,10-11H2,1H3,(H,28,30)
InChIKeyCXZIGFZDJFOHLB-UHFFFAOYSA-N
XLogP3.74
TPSA109.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyanomethyl)-N-(3,5-dimethylphenyl)benzamide
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3-cyano-N-[6-(dimethylamino)-3-pyridinyl]benzamide
CID 30272011
3-(cyanomethyl)-N-(4-methoxyphenyl)benzamide
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N-[6-(dimethylamino)-3-pyridinyl]-3-phenylmethoxybenzamide
CID 30271698
3-(cyanomethyl)-N-methylbenzamide
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3-(cyanomethyl)-N-propylbenzamide
CID 82178980
3-(cyanomethyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 82179569
3-(cyanomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82179662
3-(cyanomethyl)-N-(2-hydroxyethyl)benzamide
CID 78885620
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(cyanomethyl)benzamide
CID 78884488

Frequently Asked Questions

What is the IUPAC name of 3-(cyanomethyl)-N-[6-[[3-(cyanomethyl)benzoyl]-methylamino]-3-pyridinyl]benzamide?
The IUPAC name of 3-(cyanomethyl)-N-[6-[[3-(cyanomethyl)benzoyl]-methylamino]-3-pyridinyl]benzamide (CID 75390221) is 3-(cyanomethyl)-N-[6-[[3-(cyanomethyl)benzoyl]-methylamino]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-(cyanomethyl)-N-[6-[[3-(cyanomethyl)benzoyl]-methylamino]-3-pyridinyl]benzamide?
The canonical SMILES for 3-(cyanomethyl)-N-[6-[[3-(cyanomethyl)benzoyl]-methylamino]-3-pyridinyl]benzamide is CN(C(=O)c1cccc(CC#N)c1)c1ccc(NC(=O)c2cccc(CC#N)c2)cn1.
What is the InChIKey of 3-(cyanomethyl)-N-[6-[[3-(cyanomethyl)benzoyl]-methylamino]-3-pyridinyl]benzamide?
The InChIKey is CXZIGFZDJFOHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-29(24(31)20-7-3-5-18(15-20)11-13-26)22-9-8-21(16-27-22)28-23(30)19-6-2-4-17(14-19)10-12-25/h2-9,14-16H,10-11H2,1H3,(H,28,30).
What are the key properties of 3-(cyanomethyl)-N-[6-[[3-(cyanomethyl)benzoyl]-methylamino]-3-pyridinyl]benzamide?
3-(cyanomethyl)-N-[6-[[3-(cyanomethyl)benzoyl]-methylamino]-3-pyridinyl]benzamide has a molecular weight of 409.45 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyanomethyl)-N-[6-[[3-(cyanomethyl)benzoyl]-methylamino]-3-pyridinyl]benzamide is sourced from PubChem (CID 75390221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).