N-(5-bromo-3-methyl-2-pyridinyl)-N,2,2-trimethylpropanamide

C12H17BrN2O — CID 18329348

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-N,2,2-trimethylpropanamide
SMILESCc1cc(Br)cnc1N(C)C(=O)C(C)(C)C
InChIInChI=1S/C12H17BrN2O/c1-8-6-9(13)7-14-10(8)15(5)11(16)12(2,3)4/h6-7H,1-5H3
InChIKeyMKBZSCNCWLNWFH-UHFFFAOYSA-N
MW285.19 g/mol
LogP3.16
Rot. Bonds1

About N-(5-bromo-3-methyl-2-pyridinyl)-N,2,2-trimethylpropanamide

N-(5-bromo-3-methyl-2-pyridinyl)-N,2,2-trimethylpropanamide (PubChem CID 18329348) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-N,2,2-trimethylpropanamide
PubChem CID18329348
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-N,2,2-trimethylpropanamide
SMILESCc1cc(Br)cnc1N(C)C(=O)C(C)(C)C
InChIInChI=1S/C12H17BrN2O/c1-8-6-9(13)7-14-10(8)15(5)11(16)12(2,3)4/h6-7H,1-5H3
InChIKeyMKBZSCNCWLNWFH-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-N,2,2-trimethylpropanamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-N,2,2-trimethylpropanamide (CID 18329348) is N-(5-bromo-3-methyl-2-pyridinyl)-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-N,2,2-trimethylpropanamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-N,2,2-trimethylpropanamide is Cc1cc(Br)cnc1N(C)C(=O)C(C)(C)C.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-N,2,2-trimethylpropanamide?
The InChIKey is MKBZSCNCWLNWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-8-6-9(13)7-14-10(8)15(5)11(16)12(2,3)4/h6-7H,1-5H3.
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-N,2,2-trimethylpropanamide?
N-(5-bromo-3-methyl-2-pyridinyl)-N,2,2-trimethylpropanamide has a molecular weight of 285.19 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 18329348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).