(2R,3R)-2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)oxane-3-carboxamide

C14H20N2O3 — CID 129479241

IUPAC(2R,3R)-2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)oxane-3-carboxamide
SMILESCC[C@H]1OCCC[C@H]1C(=O)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C14H20N2O3/c1-3-12-11(5-4-8-19-12)14(18)15-10-6-7-13(17)16(2)9-10/h6-7,9,11-12H,3-5,8H2,1-2H3,(H,15,18)/t11-,12-/m1/s1
InChIKeyCLTCBKKHGOPVPW-VXGBXAGGSA-N
MW264.32 g/mol
LogP1.53
Rot. Bonds3

About (2R,3R)-2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)oxane-3-carboxamide

(2R,3R)-2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)oxane-3-carboxamide (PubChem CID 129479241) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2R,3R)-2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)oxane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)oxane-3-carboxamide
PubChem CID129479241
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2R,3R)-2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)oxane-3-carboxamide
SMILESCC[C@H]1OCCC[C@H]1C(=O)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C14H20N2O3/c1-3-12-11(5-4-8-19-12)14(18)15-10-6-7-13(17)16(2)9-10/h6-7,9,11-12H,3-5,8H2,1-2H3,(H,15,18)/t11-,12-/m1/s1
InChIKeyCLTCBKKHGOPVPW-VXGBXAGGSA-N
XLogP1.53
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)oxane-3-carboxamide?
The IUPAC name of (2R,3R)-2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)oxane-3-carboxamide (CID 129479241) is (2R,3R)-2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)oxane-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)oxane-3-carboxamide?
The canonical SMILES for (2R,3R)-2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)oxane-3-carboxamide is CC[C@H]1OCCC[C@H]1C(=O)Nc1ccc(=O)n(C)c1.
What is the InChIKey of (2R,3R)-2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)oxane-3-carboxamide?
The InChIKey is CLTCBKKHGOPVPW-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-12-11(5-4-8-19-12)14(18)15-10-6-7-13(17)16(2)9-10/h6-7,9,11-12H,3-5,8H2,1-2H3,(H,15,18)/t11-,12-/m1/s1.
What are the key properties of (2R,3R)-2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)oxane-3-carboxamide?
(2R,3R)-2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)oxane-3-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)oxane-3-carboxamide is sourced from PubChem (CID 129479241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).