5-bromo-6-methyl-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide

C11H15BrN2O3S — CID 99697750

IUPAC5-bromo-6-methyl-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(=O)N[C@@H](C)C[S@@](C)=O)cc1Br
InChIInChI=1S/C11H15BrN2O3S/c1-6(5-18(3)17)13-10(15)8-4-9(12)7(2)14-11(8)16/h4,6H,5H2,1-3H3,(H,13,15)(H,14,16)/t6-,18+/m0/s1
InChIKeyITYUYTHUUXYYFL-AHGSNSTDSA-N
MW335.22 g/mol
LogP0.94
Rot. Bonds4

About 5-bromo-6-methyl-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide

5-bromo-6-methyl-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 99697750) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is 5-bromo-6-methyl-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-6-methyl-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID99697750
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC Name5-bromo-6-methyl-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(=O)N[C@@H](C)C[S@@](C)=O)cc1Br
InChIInChI=1S/C11H15BrN2O3S/c1-6(5-18(3)17)13-10(15)8-4-9(12)7(2)14-11(8)16/h4,6H,5H2,1-3H3,(H,13,15)(H,14,16)/t6-,18+/m0/s1
InChIKeyITYUYTHUUXYYFL-AHGSNSTDSA-N
XLogP0.94
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-6-methyl-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-6-methyl-N-[(2R)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125490373
5-bromo-N-(2-methoxyethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 129393787
5-bromo-N-[(2S)-butan-2-yl]-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125490367
5-bromo-6-ethyl-N-[(2R)-4-methylpentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125490531
5-bromo-N-cyclopropyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 129393053
5-bromo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide
CID 125491454
2,5-dichloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide
CID 114918896
5,6-dimethyl-N-[(2S)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125490337
3-chloro-2-methyl-N-(1-methylsulfinylpropan-2-yl)-5-sulfamoylbenzamide
CID 107101053
5-bromo-N,N,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 129393792
6-methyl-N-[(2R)-octan-2-yl]-2-oxo-5-propyl-1H-pyridine-3-carboxamide
CID 125490774
1-(4-bromo-3,5-dimethylphenyl)-3-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]urea
CID 99836334

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-bromo-6-methyl-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide (CID 99697750) is 5-bromo-6-methyl-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-6-methyl-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-6-methyl-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide is Cc1[nH]c(=O)c(C(=O)N[C@@H](C)C[S@@](C)=O)cc1Br.
What is the InChIKey of 5-bromo-6-methyl-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ITYUYTHUUXYYFL-AHGSNSTDSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c1-6(5-18(3)17)13-10(15)8-4-9(12)7(2)14-11(8)16/h4,6H,5H2,1-3H3,(H,13,15)(H,14,16)/t6-,18+/m0/s1.
What are the key properties of 5-bromo-6-methyl-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
5-bromo-6-methyl-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 335.22 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 99697750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).