N-(5-bromo-4-methyl-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C12H17BrN2O2 — CID 112602862

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCc1cc(NC(=O)COC(C)(C)C)ncc1Br
InChIInChI=1S/C12H17BrN2O2/c1-8-5-10(14-6-9(8)13)15-11(16)7-17-12(2,3)4/h5-6H,7H2,1-4H3,(H,14,15,16)
InChIKeyDCCFQEUIJCPIHV-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.91
Rot. Bonds3

About N-(5-bromo-4-methyl-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(5-bromo-4-methyl-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112602862) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112602862
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCc1cc(NC(=O)COC(C)(C)C)ncc1Br
InChIInChI=1S/C12H17BrN2O2/c1-8-5-10(14-6-9(8)13)15-11(16)7-17-12(2,3)4/h5-6H,7H2,1-4H3,(H,14,15,16)
InChIKeyDCCFQEUIJCPIHV-UHFFFAOYSA-N
XLogP2.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 79734408
N-(5-bromo-4-methyl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103738091
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734217
N-(5-bromopyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602860
N-(5-bromo-4-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 79730214
N-(4-chloro-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115968525
N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 79729951
N-(5-bromo-4-methyl-2-pyridinyl)-2-pyridin-2-ylacetamide
CID 79734130
N-(5-amino-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112601780
N-(2-bromo-5-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 104723917
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-tert-butylpropanamide
CID 115774058
N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide
CID 80741257

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112602862) is N-(5-bromo-4-methyl-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is Cc1cc(NC(=O)COC(C)(C)C)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is DCCFQEUIJCPIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-8-5-10(14-6-9(8)13)15-11(16)7-17-12(2,3)4/h5-6H,7H2,1-4H3,(H,14,15,16).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(5-bromo-4-methyl-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 301.18 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112602862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).