2-[(2-bromo-4-pyridinyl)methylamino]-N-(2-methylindazol-6-yl)benzamide

C21H18BrN5O — CID 23118972

IUPAC2-[(2-bromo-4-pyridinyl)methylamino]-N-(2-methylindazol-6-yl)benzamide
SMILESCn1cc2ccc(NC(=O)c3ccccc3NCc3ccnc(Br)c3)cc2n1
InChIInChI=1S/C21H18BrN5O/c1-27-13-15-6-7-16(11-19(15)26-27)25-21(28)17-4-2-3-5-18(17)24-12-14-8-9-23-20(22)10-14/h2-11,13,24H,12H2,1H3,(H,25,28)
InChIKeyOSCSTFAICYKXCV-UHFFFAOYSA-N
MW436.31 g/mol
LogP4.60
Rot. Bonds5

About 2-[(2-bromo-4-pyridinyl)methylamino]-N-(2-methylindazol-6-yl)benzamide

2-[(2-bromo-4-pyridinyl)methylamino]-N-(2-methylindazol-6-yl)benzamide (PubChem CID 23118972) has the molecular formula C21H18BrN5O and a molecular weight of 436.31 g/mol. Its IUPAC name is 2-[(2-bromo-4-pyridinyl)methylamino]-N-(2-methylindazol-6-yl)benzamide.

Molecular Properties

Compound Name2-[(2-bromo-4-pyridinyl)methylamino]-N-(2-methylindazol-6-yl)benzamide
PubChem CID23118972
Molecular FormulaC21H18BrN5O
Molecular Weight436.31 g/mol
Exact Mass435.07
IUPAC Name2-[(2-bromo-4-pyridinyl)methylamino]-N-(2-methylindazol-6-yl)benzamide
SMILESCn1cc2ccc(NC(=O)c3ccccc3NCc3ccnc(Br)c3)cc2n1
InChIInChI=1S/C21H18BrN5O/c1-27-13-15-6-7-16(11-19(15)26-27)25-21(28)17-4-2-3-5-18(17)24-12-14-8-9-23-20(22)10-14/h2-11,13,24H,12H2,1H3,(H,25,28)
InChIKeyOSCSTFAICYKXCV-UHFFFAOYSA-N
XLogP4.60
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.31
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[(2-bromo-4-pyridinyl)methylamino]-N-(2-methylindazol-6-yl)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-[(2-bromo-4-pyridinyl)methylamino]-N-(2-methylindazol-6-yl)benzamide?
The IUPAC name of 2-[(2-bromo-4-pyridinyl)methylamino]-N-(2-methylindazol-6-yl)benzamide (CID 23118972) is 2-[(2-bromo-4-pyridinyl)methylamino]-N-(2-methylindazol-6-yl)benzamide.
What is the SMILES notation for 2-[(2-bromo-4-pyridinyl)methylamino]-N-(2-methylindazol-6-yl)benzamide?
The canonical SMILES for 2-[(2-bromo-4-pyridinyl)methylamino]-N-(2-methylindazol-6-yl)benzamide is Cn1cc2ccc(NC(=O)c3ccccc3NCc3ccnc(Br)c3)cc2n1.
What is the InChIKey of 2-[(2-bromo-4-pyridinyl)methylamino]-N-(2-methylindazol-6-yl)benzamide?
The InChIKey is OSCSTFAICYKXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN5O/c1-27-13-15-6-7-16(11-19(15)26-27)25-21(28)17-4-2-3-5-18(17)24-12-14-8-9-23-20(22)10-14/h2-11,13,24H,12H2,1H3,(H,25,28).
What are the key properties of 2-[(2-bromo-4-pyridinyl)methylamino]-N-(2-methylindazol-6-yl)benzamide?
2-[(2-bromo-4-pyridinyl)methylamino]-N-(2-methylindazol-6-yl)benzamide has a molecular weight of 436.31 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-pyridinyl)methylamino]-N-(2-methylindazol-6-yl)benzamide is sourced from PubChem (CID 23118972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).