N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide

C12H17BrN2O — CID 79734521

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cc(C)c(Br)cn1
InChIInChI=1S/C12H17BrN2O/c1-4-5-8(2)12(16)15-11-6-9(3)10(13)7-14-11/h6-8H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyJRIGTJQKSFFNRN-UHFFFAOYSA-N
MW285.19 g/mol
LogP3.53
Rot. Bonds4

About N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide

N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide (PubChem CID 79734521) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide
PubChem CID79734521
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cc(C)c(Br)cn1
InChIInChI=1S/C12H17BrN2O/c1-4-5-8(2)12(16)15-11-6-9(3)10(13)7-14-11/h6-8H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyJRIGTJQKSFFNRN-UHFFFAOYSA-N
XLogP3.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanamide
CID 79734420
5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide
CID 104685319
N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-3-methylsulfanylpropanamide
CID 75494689
(2S)-2-amino-N-(5-bromo-4-methyl-2-pyridinyl)propanamide
CID 79734122
N-(5-bromo-4-methyl-2-pyridinyl)-2-methylsulfonylpropanamide
CID 112697409
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734217
1-(5-bromo-4-methyl-2-pyridinyl)-3-butylurea
CID 79729127
N-(5-bromo-4-methyl-2-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 79734413
4-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylhexanamide
CID 79734817
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pentanamide
CID 670809
6-(2-methylpentanoylamino)pyridine-3-carboxylic acid
CID 61318986
N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 79729951

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide (CID 79734521) is N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide is CCCC(C)C(=O)Nc1cc(C)c(Br)cn1.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide?
The InChIKey is JRIGTJQKSFFNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-4-5-8(2)12(16)15-11-6-9(3)10(13)7-14-11/h6-8H,4-5H2,1-3H3,(H,14,15,16).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide?
N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide has a molecular weight of 285.19 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide is sourced from PubChem (CID 79734521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).