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'}

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Related Compounds

N-(2-methylindazol-6-yl)-2-(pyridin-4-ylmethylamino)benzamide
CID 141140513
[4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-2-pyridinyl] hydrogen carbonate
CID 68886794
2-[(2-amino-4-pyridinyl)methylamino]-N-(1-methylindazol-6-yl)benzamide
CID 68820475
2-[[2-(dimethylcarbamoylamino)-4-pyridinyl]methylamino]-N-(4-fluoro-2-methylindazol-6-yl)benzamide
CID 11561691
N-[2-(2-methoxyethyl)indazol-5-yl]-2-[[2-(methylcarbamoylamino)-4-pyridinyl]methylamino]benzamide
CID 68820057
N-(1,3-benzodioxol-5-yl)-2-[[2-(2-methoxypropanoylamino)-4-pyridinyl]methylamino]benzamide
CID 59848898
4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxylic acid
CID 59848965
2-[(2-amino-4-pyridinyl)methylamino]-N-isoquinolin-3-ylbenzamide
CID 58763653
N-[4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]-2-pyridinyl]pyrrolidine-1-carboxamide
CID 59848950
4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 59848902
N-(1-methylbenzimidazol-5-yl)-1H-indole-7-carboxamide
CID 112527528
N-(3-bromo-4-fluorophenyl)-2-(ethylamino)benzamide
CID 104779865

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).