N-(6-bromo-2-methyl-3-pyridinyl)-4-methylpentanamide

C12H17BrN2O — CID 103909752

IUPACN-(6-bromo-2-methyl-3-pyridinyl)-4-methylpentanamide
SMILESCc1nc(Br)ccc1NC(=O)CCC(C)C
InChIInChI=1S/C12H17BrN2O/c1-8(2)4-7-12(16)15-10-5-6-11(13)14-9(10)3/h5-6,8H,4,7H2,1-3H3,(H,15,16)
InChIKeyQWCSAMQJHVEOBU-UHFFFAOYSA-N
MW285.19 g/mol
LogP3.53
Rot. Bonds4

About N-(6-bromo-2-methyl-3-pyridinyl)-4-methylpentanamide

N-(6-bromo-2-methyl-3-pyridinyl)-4-methylpentanamide (PubChem CID 103909752) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)-4-methylpentanamide
PubChem CID103909752
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)-4-methylpentanamide
SMILESCc1nc(Br)ccc1NC(=O)CCC(C)C
InChIInChI=1S/C12H17BrN2O/c1-8(2)4-7-12(16)15-10-5-6-11(13)14-9(10)3/h5-6,8H,4,7H2,1-3H3,(H,15,16)
InChIKeyQWCSAMQJHVEOBU-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-bromo-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)acetamide
CID 113349881
N-(2,4-dimethylphenyl)-4-methylpentanamide
CID 78775203
N-(2,6-dibromo-3-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 166661327
tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate
CID 75487739
N-(6-bromo-2-methyl-3-pyridinyl)-2-pyrrolidin-3-ylacetamide
CID 114050904
N-(6-bromo-2-methyl-3-pyridinyl)-2-methylpropane-1-sulfonamide
CID 103907877
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
N-(6-bromo-2-methyl-3-pyridinyl)-2-ethylbenzamide
CID 103909504
N-(6-bromo-2-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 103909689
1-(6-bromo-2-methyl-3-pyridinyl)-3-(4-fluorophenyl)urea
CID 166636722
N-(6-bromo-2-methyl-3-pyridinyl)cyclohexanecarboxamide
CID 103909516
N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfanylpropanamide
CID 107301045

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-4-methylpentanamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-4-methylpentanamide (CID 103909752) is N-(6-bromo-2-methyl-3-pyridinyl)-4-methylpentanamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)-4-methylpentanamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)-4-methylpentanamide is Cc1nc(Br)ccc1NC(=O)CCC(C)C.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)-4-methylpentanamide?
The InChIKey is QWCSAMQJHVEOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-8(2)4-7-12(16)15-10-5-6-11(13)14-9(10)3/h5-6,8H,4,7H2,1-3H3,(H,15,16).
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)-4-methylpentanamide?
N-(6-bromo-2-methyl-3-pyridinyl)-4-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-(6-bromo-2-methyl-3-pyridinyl)-4-methylpentanamide is sourced from PubChem (CID 103909752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).