4-bromo-N-[6-(4-cyanoanilino)-3-pyridinyl]benzamide

C19H13BrN4O — CID 113022865

IUPAC4-bromo-N-[6-(4-cyanoanilino)-3-pyridinyl]benzamide
SMILESN#Cc1ccc(Nc2ccc(NC(=O)c3ccc(Br)cc3)cn2)cc1
InChIInChI=1S/C19H13BrN4O/c20-15-5-3-14(4-6-15)19(25)24-17-9-10-18(22-12-17)23-16-7-1-13(11-21)2-8-16/h1-10,12H,(H,22,23)(H,24,25)
InChIKeyLCPXHMSKAMKCDV-UHFFFAOYSA-N
MW393.24 g/mol
LogP4.71
Rot. Bonds4

About 4-bromo-N-[6-(4-cyanoanilino)-3-pyridinyl]benzamide

4-bromo-N-[6-(4-cyanoanilino)-3-pyridinyl]benzamide (PubChem CID 113022865) has the molecular formula C19H13BrN4O and a molecular weight of 393.24 g/mol. Its IUPAC name is 4-bromo-N-[6-(4-cyanoanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[6-(4-cyanoanilino)-3-pyridinyl]benzamide
PubChem CID113022865
Molecular FormulaC19H13BrN4O
Molecular Weight393.24 g/mol
Exact Mass392.03
IUPAC Name4-bromo-N-[6-(4-cyanoanilino)-3-pyridinyl]benzamide
SMILESN#Cc1ccc(Nc2ccc(NC(=O)c3ccc(Br)cc3)cn2)cc1
InChIInChI=1S/C19H13BrN4O/c20-15-5-3-14(4-6-15)19(25)24-17-9-10-18(22-12-17)23-16-7-1-13(11-21)2-8-16/h1-10,12H,(H,22,23)(H,24,25)
InChIKeyLCPXHMSKAMKCDV-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 4-bromo-N-[6-(4-cyanoanilino)-3-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

6-(4-bromoanilino)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109163836
N-(4-acetamidophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide
CID 109164577
N-(2-bromophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide
CID 109164781
methyl 4-[[5-[(4-cyanophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109164642
N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109164675
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
N-(4-bromophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358687
6-(4-cyanoanilino)-N-(2,3-dichlorophenyl)pyridine-3-carboxamide
CID 109164958
N-[6-(4-bromoanilino)-3-pyridinyl]-2-methylbenzamide
CID 113019208
2-bromo-N-[5-(4-cyanoanilino)-2-pyridinyl]benzamide
CID 113037262
N-[6-(4-cyanoanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113022851
6-(4-tert-butylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109163157

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[6-(4-cyanoanilino)-3-pyridinyl]benzamide?
The IUPAC name of 4-bromo-N-[6-(4-cyanoanilino)-3-pyridinyl]benzamide (CID 113022865) is 4-bromo-N-[6-(4-cyanoanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-bromo-N-[6-(4-cyanoanilino)-3-pyridinyl]benzamide?
The canonical SMILES for 4-bromo-N-[6-(4-cyanoanilino)-3-pyridinyl]benzamide is N#Cc1ccc(Nc2ccc(NC(=O)c3ccc(Br)cc3)cn2)cc1.
What is the InChIKey of 4-bromo-N-[6-(4-cyanoanilino)-3-pyridinyl]benzamide?
The InChIKey is LCPXHMSKAMKCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN4O/c20-15-5-3-14(4-6-15)19(25)24-17-9-10-18(22-12-17)23-16-7-1-13(11-21)2-8-16/h1-10,12H,(H,22,23)(H,24,25).
What are the key properties of 4-bromo-N-[6-(4-cyanoanilino)-3-pyridinyl]benzamide?
4-bromo-N-[6-(4-cyanoanilino)-3-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 4-bromo-N-[6-(4-cyanoanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113022865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).