5-bromo-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide

C16H14BrN3O3 — CID 55814674

IUPAC5-bromo-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(N2CCOC2=O)c1)c1cncc(Br)c1
InChIInChI=1S/C16H14BrN3O3/c17-13-7-12(9-18-10-13)15(21)19-8-11-2-1-3-14(6-11)20-4-5-23-16(20)22/h1-3,6-7,9-10H,4-5,8H2,(H,19,21)
InChIKeyDFCBSOLBNBKCOA-UHFFFAOYSA-N
MW376.21 g/mol
LogP2.73
Rot. Bonds4

About 5-bromo-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide

5-bromo-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 55814674) has the molecular formula C16H14BrN3O3 and a molecular weight of 376.21 g/mol. Its IUPAC name is 5-bromo-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID55814674
Molecular FormulaC16H14BrN3O3
Molecular Weight376.21 g/mol
Exact Mass375.02
IUPAC Name5-bromo-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(N2CCOC2=O)c1)c1cncc(Br)c1
InChIInChI=1S/C16H14BrN3O3/c17-13-7-12(9-18-10-13)15(21)19-8-11-2-1-3-14(6-11)20-4-5-23-16(20)22/h1-3,6-7,9-10H,4-5,8H2,(H,19,21)
InChIKeyDFCBSOLBNBKCOA-UHFFFAOYSA-N
XLogP2.73
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)sulfanyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide
CID 55932705
4-cyclopentyloxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
CID 55934364
4-methyl-3-methylsulfonyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
CID 94659890
N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 55814453
5-benzyl-1-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 167833868
3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
CID 55970144
1-(2-methylpropyl)-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]urea
CID 60562162
N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55815215
5-(diethylsulfamoyl)-2-fluoro-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
CID 55814454
3-[3-(ethylaminomethyl)phenyl]-1,3-oxazinan-2-one
CID 61349238
1-[(2-fluorophenyl)methyl]-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]urea
CID 71940501
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 86836373

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide (CID 55814674) is 5-bromo-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1cccc(N2CCOC2=O)c1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is DFCBSOLBNBKCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O3/c17-13-7-12(9-18-10-13)15(21)19-8-11-2-1-3-14(6-11)20-4-5-23-16(20)22/h1-3,6-7,9-10H,4-5,8H2,(H,19,21).
What are the key properties of 5-bromo-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide?
5-bromo-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 376.21 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 55814674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).