5-bromo-N-tert-butyl-N,3-dimethylpyridine-2-carboxamide

C12H17BrN2O — CID 70896534

IUPAC5-bromo-N-tert-butyl-N,3-dimethylpyridine-2-carboxamide
SMILESCc1cc(Br)cnc1C(=O)N(C)C(C)(C)C
InChIInChI=1S/C12H17BrN2O/c1-8-6-9(13)7-14-10(8)11(16)15(5)12(2,3)4/h6-7H,1-5H3
InChIKeyPJHZXLXYSOMWSE-UHFFFAOYSA-N
MW285.19 g/mol
LogP3.02
Rot. Bonds1

About 5-bromo-N-tert-butyl-N,3-dimethylpyridine-2-carboxamide

5-bromo-N-tert-butyl-N,3-dimethylpyridine-2-carboxamide (PubChem CID 70896534) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 5-bromo-N-tert-butyl-N,3-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-tert-butyl-N,3-dimethylpyridine-2-carboxamide
PubChem CID70896534
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name5-bromo-N-tert-butyl-N,3-dimethylpyridine-2-carboxamide
SMILESCc1cc(Br)cnc1C(=O)N(C)C(C)(C)C
InChIInChI=1S/C12H17BrN2O/c1-8-6-9(13)7-14-10(8)11(16)15(5)12(2,3)4/h6-7H,1-5H3
InChIKeyPJHZXLXYSOMWSE-UHFFFAOYSA-N
XLogP3.02
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-tert-butyl-N,3-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-tert-butyl-N,3-dimethylpyridine-2-carboxamide (CID 70896534) is 5-bromo-N-tert-butyl-N,3-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-tert-butyl-N,3-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-tert-butyl-N,3-dimethylpyridine-2-carboxamide is Cc1cc(Br)cnc1C(=O)N(C)C(C)(C)C.
What is the InChIKey of 5-bromo-N-tert-butyl-N,3-dimethylpyridine-2-carboxamide?
The InChIKey is PJHZXLXYSOMWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-8-6-9(13)7-14-10(8)11(16)15(5)12(2,3)4/h6-7H,1-5H3.
What are the key properties of 5-bromo-N-tert-butyl-N,3-dimethylpyridine-2-carboxamide?
5-bromo-N-tert-butyl-N,3-dimethylpyridine-2-carboxamide has a molecular weight of 285.19 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-tert-butyl-N,3-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 70896534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).