3-(ethylamino)-1-[(3R,4R)-3-methoxyoxan-4-yl]pyridin-2-one

C13H20N2O3 — CID 139401782

IUPAC3-(ethylamino)-1-[(3R,4R)-3-methoxyoxan-4-yl]pyridin-2-one
SMILESCCNc1cccn([C@@H]2CCOC[C@@H]2OC)c1=O
InChIInChI=1S/C13H20N2O3/c1-3-14-10-5-4-7-15(13(10)16)11-6-8-18-9-12(11)17-2/h4-5,7,11-12,14H,3,6,8-9H2,1-2H3/t11-,12+/m1/s1
InChIKeyPMUPJRKHBWFZCF-NEPJUHHUSA-N
MW252.31 g/mol
LogP1.26
Rot. Bonds4

About 3-(ethylamino)-1-[(3R,4R)-3-methoxyoxan-4-yl]pyridin-2-one

3-(ethylamino)-1-[(3R,4R)-3-methoxyoxan-4-yl]pyridin-2-one (PubChem CID 139401782) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-(ethylamino)-1-[(3R,4R)-3-methoxyoxan-4-yl]pyridin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-[(3R,4R)-3-methoxyoxan-4-yl]pyridin-2-one
PubChem CID139401782
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-(ethylamino)-1-[(3R,4R)-3-methoxyoxan-4-yl]pyridin-2-one
SMILESCCNc1cccn([C@@H]2CCOC[C@@H]2OC)c1=O
InChIInChI=1S/C13H20N2O3/c1-3-14-10-5-4-7-15(13(10)16)11-6-8-18-9-12(11)17-2/h4-5,7,11-12,14H,3,6,8-9H2,1-2H3/t11-,12+/m1/s1
InChIKeyPMUPJRKHBWFZCF-NEPJUHHUSA-N
XLogP1.26
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-[(3R,4R)-3-methoxyoxan-4-yl]pyridin-2-one?
The IUPAC name of 3-(ethylamino)-1-[(3R,4R)-3-methoxyoxan-4-yl]pyridin-2-one (CID 139401782) is 3-(ethylamino)-1-[(3R,4R)-3-methoxyoxan-4-yl]pyridin-2-one.
What is the SMILES notation for 3-(ethylamino)-1-[(3R,4R)-3-methoxyoxan-4-yl]pyridin-2-one?
The canonical SMILES for 3-(ethylamino)-1-[(3R,4R)-3-methoxyoxan-4-yl]pyridin-2-one is CCNc1cccn([C@@H]2CCOC[C@@H]2OC)c1=O.
What is the InChIKey of 3-(ethylamino)-1-[(3R,4R)-3-methoxyoxan-4-yl]pyridin-2-one?
The InChIKey is PMUPJRKHBWFZCF-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-14-10-5-4-7-15(13(10)16)11-6-8-18-9-12(11)17-2/h4-5,7,11-12,14H,3,6,8-9H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of 3-(ethylamino)-1-[(3R,4R)-3-methoxyoxan-4-yl]pyridin-2-one?
3-(ethylamino)-1-[(3R,4R)-3-methoxyoxan-4-yl]pyridin-2-one has a molecular weight of 252.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-[(3R,4R)-3-methoxyoxan-4-yl]pyridin-2-one is sourced from PubChem (CID 139401782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).