2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide

C₁₃H₉BrN₄O — CID 107793711

About 2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide

2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide (PubChem CID 107793711) has the molecular formula C₁₃H₉BrN₄O and a molecular weight of 317.15 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide
• PubChem CID: 107793711
• Molecular Formula: C₁₃H₉BrN₄O
• Molecular Weight: 317.15 g/mol
• Exact Mass: 316.00
• IUPAC Name: 2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide
• SMILES: N#Cc1ccc(NC(=O)c2cccnc2N)c(Br)c1
• InChI: InChI=1S/C13H9BrN4O/c14-10-6-8(7-15)3-4-11(10)18-13(19)9-2-1-5-17-12(9)16/h1-6H,(H2,16,17)(H,18,19)
• InChIKey: GSGULQBDHCXCMA-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 91.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.15
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide?

The IUPAC name of 2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide (CID 107793711) is 2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide.

What is the SMILES notation for 2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide?

The canonical SMILES for 2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide is N#Cc1ccc(NC(=O)c2cccnc2N)c(Br)c1.

What is the InChIKey of 2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide?

The InChIKey is GSGULQBDHCXCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4O/c14-10-6-8(7-15)3-4-11(10)18-13(19)9-2-1-5-17-12(9)16/h1-6H,(H2,16,17)(H,18,19).

What are the key properties of 2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide?

2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide has a molecular weight of 317.15 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 107793711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107793711 — identifiers, structure, computed properties (public domain)

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