2-bromo-N-[6-(tert-butylamino)-3-pyridinyl]benzamide

C16H18BrN3O — CID 113014773

IUPAC2-bromo-N-[6-(tert-butylamino)-3-pyridinyl]benzamide
SMILESCC(C)(C)Nc1ccc(NC(=O)c2ccccc2Br)cn1
InChIInChI=1S/C16H18BrN3O/c1-16(2,3)20-14-9-8-11(10-18-14)19-15(21)12-6-4-5-7-13(12)17/h4-10H,1-3H3,(H,18,20)(H,19,21)
InChIKeyDOBUUAYZFMPHNR-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.31
Rot. Bonds3

About 2-bromo-N-[6-(tert-butylamino)-3-pyridinyl]benzamide

2-bromo-N-[6-(tert-butylamino)-3-pyridinyl]benzamide (PubChem CID 113014773) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-bromo-N-[6-(tert-butylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[6-(tert-butylamino)-3-pyridinyl]benzamide
PubChem CID113014773
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name2-bromo-N-[6-(tert-butylamino)-3-pyridinyl]benzamide
SMILESCC(C)(C)Nc1ccc(NC(=O)c2ccccc2Br)cn1
InChIInChI=1S/C16H18BrN3O/c1-16(2,3)20-14-9-8-11(10-18-14)19-15(21)12-6-4-5-7-13(12)17/h4-10H,1-3H3,(H,18,20)(H,19,21)
InChIKeyDOBUUAYZFMPHNR-UHFFFAOYSA-N
XLogP4.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(tert-butylamino)-3-pyridinyl]-2-methoxybenzamide
CID 113014776
2-bromo-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
CID 113010719
2-bromo-N-[6-(4-fluoroanilino)-3-pyridinyl]benzamide
CID 113018308
2-bromo-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113011315
N-[5-(tert-butylamino)-2-pyridinyl]-2-chlorobenzamide
CID 113030002
2-bromo-N-(2-methoxypyrimidin-5-yl)benzamide
CID 122301734
N-[5-(tert-butylamino)-2-pyridinyl]-2-fluorobenzamide
CID 113029972
N-(2-bromophenyl)-5-(tert-butylamino)pyrazine-2-carboxamide
CID 109287425
2-bromo-N-(2-phenylpyrimidin-5-yl)benzamide
CID 27692565
N-[6-(tert-butylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113014815
2-bromo-N-(6-phenylmethoxy-3-pyridinyl)benzamide
CID 55879442
2-bromo-N-pyrazin-2-ylbenzamide
CID 43409356

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[6-(tert-butylamino)-3-pyridinyl]benzamide?
The IUPAC name of 2-bromo-N-[6-(tert-butylamino)-3-pyridinyl]benzamide (CID 113014773) is 2-bromo-N-[6-(tert-butylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-bromo-N-[6-(tert-butylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 2-bromo-N-[6-(tert-butylamino)-3-pyridinyl]benzamide is CC(C)(C)Nc1ccc(NC(=O)c2ccccc2Br)cn1.
What is the InChIKey of 2-bromo-N-[6-(tert-butylamino)-3-pyridinyl]benzamide?
The InChIKey is DOBUUAYZFMPHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-16(2,3)20-14-9-8-11(10-18-14)19-15(21)12-6-4-5-7-13(12)17/h4-10H,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 2-bromo-N-[6-(tert-butylamino)-3-pyridinyl]benzamide?
2-bromo-N-[6-(tert-butylamino)-3-pyridinyl]benzamide has a molecular weight of 348.24 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[6-(tert-butylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113014773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).