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

C16H18BrN3O2 — CID 28902646

IUPAC4-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide
SMILESCC(C)(CO)Nc1ccc(NC(=O)c2ccc(Br)cc2)cn1
InChIInChI=1S/C16H18BrN3O2/c1-16(2,10-21)20-14-8-7-13(9-18-14)19-15(22)11-3-5-12(17)6-4-11/h3-9,21H,10H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyGYXQITUXMABFBI-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.28
Rot. Bonds5

About 4-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide

4-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide (PubChem CID 28902646) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is 4-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide
PubChem CID28902646
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC Name4-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide
SMILESCC(C)(CO)Nc1ccc(NC(=O)c2ccc(Br)cc2)cn1
InChIInChI=1S/C16H18BrN3O2/c1-16(2,10-21)20-14-8-7-13(9-18-14)19-15(22)11-3-5-12(17)6-4-11/h3-9,21H,10H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyGYXQITUXMABFBI-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

3-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide
CID 28902642
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
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
4-bromo-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide
CID 113009326
4-[[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39178208
4-bromo-N-[5-(butylamino)-2-pyridinyl]benzamide
CID 113023973
4-bromo-N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]benzamide
CID 113025721
4-bromo-N-[6-(4-cyanoanilino)-3-pyridinyl]benzamide
CID 113022865
N-[6-(ethylamino)-3-pyridinyl]-4-methylbenzamide
CID 115268582
4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
CID 113010730

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide?
The IUPAC name of 4-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide (CID 28902646) is 4-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide.
What is the SMILES notation for 4-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide?
The canonical SMILES for 4-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide is CC(C)(CO)Nc1ccc(NC(=O)c2ccc(Br)cc2)cn1.
What is the InChIKey of 4-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide?
The InChIKey is GYXQITUXMABFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2/c1-16(2,10-21)20-14-8-7-13(9-18-14)19-15(22)11-3-5-12(17)6-4-11/h3-9,21H,10H2,1-2H3,(H,18,20)(H,19,22).
What are the key properties of 4-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide?
4-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 4-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide is sourced from PubChem (CID 28902646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).