N-[5-bromo-1-[[(2S)-2-hydroxycyclobutyl]methyl]-2-oxo-3-pyridinyl]acetamide

C12H15BrN2O3 — CID 169032830

IUPACN-[5-bromo-1-[[(2S)-2-hydroxycyclobutyl]methyl]-2-oxo-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Br)cn(CC2CC[C@@H]2O)c1=O
InChIInChI=1S/C12H15BrN2O3/c1-7(16)14-10-4-9(13)6-15(12(10)18)5-8-2-3-11(8)17/h4,6,8,11,17H,2-3,5H2,1H3,(H,14,16)/t8?,11-/m0/s1
InChIKeyHMAICGWNHVPOIK-LYNSQETBSA-N
MW315.17 g/mol
LogP1.34
Rot. Bonds3

About N-[5-bromo-1-[[(2S)-2-hydroxycyclobutyl]methyl]-2-oxo-3-pyridinyl]acetamide

N-[5-bromo-1-[[(2S)-2-hydroxycyclobutyl]methyl]-2-oxo-3-pyridinyl]acetamide (PubChem CID 169032830) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is N-[5-bromo-1-[[(2S)-2-hydroxycyclobutyl]methyl]-2-oxo-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-bromo-1-[[(2S)-2-hydroxycyclobutyl]methyl]-2-oxo-3-pyridinyl]acetamide
PubChem CID169032830
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC NameN-[5-bromo-1-[[(2S)-2-hydroxycyclobutyl]methyl]-2-oxo-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Br)cn(CC2CC[C@@H]2O)c1=O
InChIInChI=1S/C12H15BrN2O3/c1-7(16)14-10-4-9(13)6-15(12(10)18)5-8-2-3-11(8)17/h4,6,8,11,17H,2-3,5H2,1H3,(H,14,16)/t8?,11-/m0/s1
InChIKeyHMAICGWNHVPOIK-LYNSQETBSA-N
XLogP1.34
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-bromo-1-[[(2S)-2-hydroxycyclobutyl]methyl]-2-oxo-3-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-1-[[(2S)-2-hydroxycyclobutyl]methyl]-2-oxo-3-pyridinyl]acetamide?
The IUPAC name of N-[5-bromo-1-[[(2S)-2-hydroxycyclobutyl]methyl]-2-oxo-3-pyridinyl]acetamide (CID 169032830) is N-[5-bromo-1-[[(2S)-2-hydroxycyclobutyl]methyl]-2-oxo-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-bromo-1-[[(2S)-2-hydroxycyclobutyl]methyl]-2-oxo-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-bromo-1-[[(2S)-2-hydroxycyclobutyl]methyl]-2-oxo-3-pyridinyl]acetamide is CC(=O)Nc1cc(Br)cn(CC2CC[C@@H]2O)c1=O.
What is the InChIKey of N-[5-bromo-1-[[(2S)-2-hydroxycyclobutyl]methyl]-2-oxo-3-pyridinyl]acetamide?
The InChIKey is HMAICGWNHVPOIK-LYNSQETBSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-7(16)14-10-4-9(13)6-15(12(10)18)5-8-2-3-11(8)17/h4,6,8,11,17H,2-3,5H2,1H3,(H,14,16)/t8?,11-/m0/s1.
What are the key properties of N-[5-bromo-1-[[(2S)-2-hydroxycyclobutyl]methyl]-2-oxo-3-pyridinyl]acetamide?
N-[5-bromo-1-[[(2S)-2-hydroxycyclobutyl]methyl]-2-oxo-3-pyridinyl]acetamide has a molecular weight of 315.17 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-1-[[(2S)-2-hydroxycyclobutyl]methyl]-2-oxo-3-pyridinyl]acetamide is sourced from PubChem (CID 169032830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).