2-bromo-N-[5-(4-cyanoanilino)-2-pyridinyl]benzamide

C19H13BrN4O — CID 113037262

IUPAC2-bromo-N-[5-(4-cyanoanilino)-2-pyridinyl]benzamide
SMILESN#Cc1ccc(Nc2ccc(NC(=O)c3ccccc3Br)nc2)cc1
InChIInChI=1S/C19H13BrN4O/c20-17-4-2-1-3-16(17)19(25)24-18-10-9-15(12-22-18)23-14-7-5-13(11-21)6-8-14/h1-10,12,23H,(H,22,24,25)
InChIKeyXLKMPAGTKOPOTL-UHFFFAOYSA-N
MW393.24 g/mol
LogP4.71
Rot. Bonds4

About 2-bromo-N-[5-(4-cyanoanilino)-2-pyridinyl]benzamide

2-bromo-N-[5-(4-cyanoanilino)-2-pyridinyl]benzamide (PubChem CID 113037262) has the molecular formula C19H13BrN4O and a molecular weight of 393.24 g/mol. Its IUPAC name is 2-bromo-N-[5-(4-cyanoanilino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[5-(4-cyanoanilino)-2-pyridinyl]benzamide
PubChem CID113037262
Molecular FormulaC19H13BrN4O
Molecular Weight393.24 g/mol
Exact Mass392.03
IUPAC Name2-bromo-N-[5-(4-cyanoanilino)-2-pyridinyl]benzamide
SMILESN#Cc1ccc(Nc2ccc(NC(=O)c3ccccc3Br)nc2)cc1
InChIInChI=1S/C19H13BrN4O/c20-17-4-2-1-3-16(17)19(25)24-18-10-9-15(12-22-18)23-14-7-5-13(11-21)6-8-14/h1-10,12,23H,(H,22,24,25)
InChIKeyXLKMPAGTKOPOTL-UHFFFAOYSA-N
XLogP4.71
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-bromo-N-[5-(4-cyanoanilino)-2-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(4-cyanoanilino)-2-pyridinyl]-2,6-dimethoxybenzamide
CID 113037270
N-(2-bromophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide
CID 109164781
2-bromo-N-[4-(3-cyanoanilino)phenyl]benzamide
CID 112989936
2-bromo-N-[6-(4-fluoroanilino)-3-pyridinyl]benzamide
CID 113018308
2-bromo-N-[1-(4-cyanophenyl)pyrazol-3-yl]benzamide
CID 46107895
4-bromo-N-[6-(4-cyanoanilino)-3-pyridinyl]benzamide
CID 113022865
2-methyl-N-[5-(4-methylanilino)-2-pyridinyl]benzamide
CID 113031534
N-[4-(4-cyanoanilino)phenyl]-2-fluorobenzamide
CID 112990032
2-bromo-N-[6-(tert-butylamino)-3-pyridinyl]benzamide
CID 113014773
6-(4-bromoanilino)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109163836
N-(5-cyano-2-pyridinyl)benzamide
CID 23072953
2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 103754024

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[5-(4-cyanoanilino)-2-pyridinyl]benzamide?
The IUPAC name of 2-bromo-N-[5-(4-cyanoanilino)-2-pyridinyl]benzamide (CID 113037262) is 2-bromo-N-[5-(4-cyanoanilino)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-bromo-N-[5-(4-cyanoanilino)-2-pyridinyl]benzamide?
The canonical SMILES for 2-bromo-N-[5-(4-cyanoanilino)-2-pyridinyl]benzamide is N#Cc1ccc(Nc2ccc(NC(=O)c3ccccc3Br)nc2)cc1.
What is the InChIKey of 2-bromo-N-[5-(4-cyanoanilino)-2-pyridinyl]benzamide?
The InChIKey is XLKMPAGTKOPOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN4O/c20-17-4-2-1-3-16(17)19(25)24-18-10-9-15(12-22-18)23-14-7-5-13(11-21)6-8-14/h1-10,12,23H,(H,22,24,25).
What are the key properties of 2-bromo-N-[5-(4-cyanoanilino)-2-pyridinyl]benzamide?
2-bromo-N-[5-(4-cyanoanilino)-2-pyridinyl]benzamide has a molecular weight of 393.24 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[5-(4-cyanoanilino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113037262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).