5-[(3-cyanobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide

C21H16N4O2 — CID 44571869

IUPAC5-[(3-cyanobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(C#N)c2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C21H16N4O2/c1-14-7-8-17(24-20(26)16-5-2-4-15(10-16)12-22)11-19(14)21(27)25-18-6-3-9-23-13-18/h2-11,13H,1H3,(H,24,26)(H,25,27)
InChIKeyOOQSNMCXBVUVRG-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.77
Rot. Bonds4

About 5-[(3-cyanobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide

5-[(3-cyanobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide (PubChem CID 44571869) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 5-[(3-cyanobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name5-[(3-cyanobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
PubChem CID44571869
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name5-[(3-cyanobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(C#N)c2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C21H16N4O2/c1-14-7-8-17(24-20(26)16-5-2-4-15(10-16)12-22)11-19(14)21(27)25-18-6-3-9-23-13-18/h2-11,13H,1H3,(H,24,26)(H,25,27)
InChIKeyOOQSNMCXBVUVRG-UHFFFAOYSA-N
XLogP3.77
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyanobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 5-[(3-cyanobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide (CID 44571869) is 5-[(3-cyanobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 5-[(3-cyanobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 5-[(3-cyanobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide is Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1C(=O)Nc1cccnc1.
What is the InChIKey of 5-[(3-cyanobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide?
The InChIKey is OOQSNMCXBVUVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-14-7-8-17(24-20(26)16-5-2-4-15(10-16)12-22)11-19(14)21(27)25-18-6-3-9-23-13-18/h2-11,13H,1H3,(H,24,26)(H,25,27).
What are the key properties of 5-[(3-cyanobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide?
5-[(3-cyanobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide has a molecular weight of 356.39 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyanobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 44571869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).