N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-methylpentanamide

C11H15BrN2O2 — CID 60588288

IUPACN-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1cc(Br)c[nH]c1=O
InChIInChI=1S/C11H15BrN2O2/c1-7(2)3-4-10(15)14-9-5-8(12)6-13-11(9)16/h5-7H,3-4H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyPMURJXQKPWXIML-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.51
Rot. Bonds4

About N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-methylpentanamide

N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-methylpentanamide (PubChem CID 60588288) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-methylpentanamide
PubChem CID60588288
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC NameN-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1cc(Br)c[nH]c1=O
InChIInChI=1S/C11H15BrN2O2/c1-7(2)3-4-10(15)14-9-5-8(12)6-13-11(9)16/h5-7H,3-4H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyPMURJXQKPWXIML-UHFFFAOYSA-N
XLogP2.51
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-methylpentanamide?
The IUPAC name of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-methylpentanamide (CID 60588288) is N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-methylpentanamide.
What is the SMILES notation for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-methylpentanamide?
The canonical SMILES for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-methylpentanamide is CC(C)CCC(=O)Nc1cc(Br)c[nH]c1=O.
What is the InChIKey of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-methylpentanamide?
The InChIKey is PMURJXQKPWXIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-7(2)3-4-10(15)14-9-5-8(12)6-13-11(9)16/h5-7H,3-4H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-methylpentanamide?
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-methylpentanamide has a molecular weight of 287.16 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-methylpentanamide is sourced from PubChem (CID 60588288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).