2-bromo-5-methoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide

C16H13BrN4O2 — CID 25349067

IUPAC2-bromo-5-methoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2ccc(-n3cccn3)nc2)c1
InChIInChI=1S/C16H13BrN4O2/c1-23-12-4-5-14(17)13(9-12)16(22)20-11-3-6-15(18-10-11)21-8-2-7-19-21/h2-10H,1H3,(H,20,22)
InChIKeyMRJYBLMDTQWMJK-UHFFFAOYSA-N
MW373.21 g/mol
LogP3.29
Rot. Bonds4

About 2-bromo-5-methoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide

2-bromo-5-methoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide (PubChem CID 25349067) has the molecular formula C16H13BrN4O2 and a molecular weight of 373.21 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide
PubChem CID25349067
Molecular FormulaC16H13BrN4O2
Molecular Weight373.21 g/mol
Exact Mass372.02
IUPAC Name2-bromo-5-methoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2ccc(-n3cccn3)nc2)c1
InChIInChI=1S/C16H13BrN4O2/c1-23-12-4-5-14(17)13(9-12)16(22)20-11-3-6-15(18-10-11)21-8-2-7-19-21/h2-10H,1H3,(H,20,22)
InChIKeyMRJYBLMDTQWMJK-UHFFFAOYSA-N
XLogP3.29
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-bromo-5-methoxy-N-(6-pyrazol-1-yl-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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide (CID 25349067) is 2-bromo-5-methoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide is COc1ccc(Br)c(C(=O)Nc2ccc(-n3cccn3)nc2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide?
The InChIKey is MRJYBLMDTQWMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O2/c1-23-12-4-5-14(17)13(9-12)16(22)20-11-3-6-15(18-10-11)21-8-2-7-19-21/h2-10H,1H3,(H,20,22).
What are the key properties of 2-bromo-5-methoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide?
2-bromo-5-methoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide has a molecular weight of 373.21 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 25349067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).