(2S,3R)-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-3-methyloxolane-2-carboxamide

C12H15BrN2O3 — CID 97348864

IUPAC(2S,3R)-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-3-methyloxolane-2-carboxamide
SMILESC[C@@H]1CCO[C@@H]1C(=O)Nc1cn(C)cc(Br)c1=O
InChIInChI=1S/C12H15BrN2O3/c1-7-3-4-18-11(7)12(17)14-9-6-15(2)5-8(13)10(9)16/h5-7,11H,3-4H2,1-2H3,(H,14,17)/t7-,11+/m1/s1
InChIKeyANRGYWCPWYROOB-HQJQHLMTSA-N
MW315.17 g/mol
LogP1.51
Rot. Bonds2

About (2S,3R)-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-3-methyloxolane-2-carboxamide

(2S,3R)-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-3-methyloxolane-2-carboxamide (PubChem CID 97348864) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is (2S,3R)-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-3-methyloxolane-2-carboxamide
PubChem CID97348864
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name(2S,3R)-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-3-methyloxolane-2-carboxamide
SMILESC[C@@H]1CCO[C@@H]1C(=O)Nc1cn(C)cc(Br)c1=O
InChIInChI=1S/C12H15BrN2O3/c1-7-3-4-18-11(7)12(17)14-9-6-15(2)5-8(13)10(9)16/h5-7,11H,3-4H2,1-2H3,(H,14,17)/t7-,11+/m1/s1
InChIKeyANRGYWCPWYROOB-HQJQHLMTSA-N
XLogP1.51
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-3-methyloxolane-2-carboxamide?
The IUPAC name of (2S,3R)-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-3-methyloxolane-2-carboxamide (CID 97348864) is (2S,3R)-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for (2S,3R)-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-3-methyloxolane-2-carboxamide is C[C@@H]1CCO[C@@H]1C(=O)Nc1cn(C)cc(Br)c1=O.
What is the InChIKey of (2S,3R)-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-3-methyloxolane-2-carboxamide?
The InChIKey is ANRGYWCPWYROOB-HQJQHLMTSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-7-3-4-18-11(7)12(17)14-9-6-15(2)5-8(13)10(9)16/h5-7,11H,3-4H2,1-2H3,(H,14,17)/t7-,11+/m1/s1.
What are the key properties of (2S,3R)-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-3-methyloxolane-2-carboxamide?
(2S,3R)-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-3-methyloxolane-2-carboxamide has a molecular weight of 315.17 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 97348864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).