3-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide

C16H18BrN3O2 — CID 28902642

IUPAC3-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide
SMILESCC(C)(CO)Nc1ccc(NC(=O)c2cccc(Br)c2)cn1
InChIInChI=1S/C16H18BrN3O2/c1-16(2,10-21)20-14-7-6-13(9-18-14)19-15(22)11-4-3-5-12(17)8-11/h3-9,21H,10H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyOZZMYBZEOZNVNB-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.28
Rot. Bonds5

About 3-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide

3-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide (PubChem CID 28902642) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is 3-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide
PubChem CID28902642
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC Name3-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide
SMILESCC(C)(CO)Nc1ccc(NC(=O)c2cccc(Br)c2)cn1
InChIInChI=1S/C16H18BrN3O2/c1-16(2,10-21)20-14-7-6-13(9-18-14)19-15(22)11-4-3-5-12(17)8-11/h3-9,21H,10H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyOZZMYBZEOZNVNB-UHFFFAOYSA-N
XLogP3.28
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide
CID 28902646
N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]acetamide
CID 28902556
N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 28902756
3-bromo-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019497
3-bromo-N-[6-(3-methoxyanilino)-3-pyridinyl]benzamide
CID 113019395
3-bromo-N-[6-(2-methoxyanilino)-3-pyridinyl]benzamide
CID 113019293
2,3,4-trifluoro-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide
CID 28902871
N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide
CID 28902569
3-bromo-N-(5-fluoro-2-pyridinyl)benzamide
CID 52886230
4-[[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39178208
3-bromo-N-[6-(tert-butylamino)pyridazin-3-yl]benzamide
CID 113044253
3-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]benzamide
CID 122298143

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide?
The IUPAC name of 3-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide (CID 28902642) is 3-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide?
The canonical SMILES for 3-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide is CC(C)(CO)Nc1ccc(NC(=O)c2cccc(Br)c2)cn1.
What is the InChIKey of 3-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide?
The InChIKey is OZZMYBZEOZNVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2/c1-16(2,10-21)20-14-7-6-13(9-18-14)19-15(22)11-4-3-5-12(17)8-11/h3-9,21H,10H2,1-2H3,(H,18,20)(H,19,22).
What are the key properties of 3-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide?
3-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide has a molecular weight of 364.24 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide is sourced from PubChem (CID 28902642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).