1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(methylamino)pyridin-2-one

C12H18N2O3 — CID 137449053

IUPAC1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(methylamino)pyridin-2-one
SMILESCNc1cccn([C@H]2CCOC[C@H]2OC)c1=O
InChIInChI=1S/C12H18N2O3/c1-13-9-4-3-6-14(12(9)15)10-5-7-17-8-11(10)16-2/h3-4,6,10-11,13H,5,7-8H2,1-2H3/t10-,11+/m0/s1
InChIKeyLRFCXJUAHVPJBV-WDEREUQCSA-N
MW238.29 g/mol
LogP0.87
Rot. Bonds3

About 1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(methylamino)pyridin-2-one

1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(methylamino)pyridin-2-one (PubChem CID 137449053) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(methylamino)pyridin-2-one.

Molecular Properties

Compound Name1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(methylamino)pyridin-2-one
PubChem CID137449053
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(methylamino)pyridin-2-one
SMILESCNc1cccn([C@H]2CCOC[C@H]2OC)c1=O
InChIInChI=1S/C12H18N2O3/c1-13-9-4-3-6-14(12(9)15)10-5-7-17-8-11(10)16-2/h3-4,6,10-11,13H,5,7-8H2,1-2H3/t10-,11+/m0/s1
InChIKeyLRFCXJUAHVPJBV-WDEREUQCSA-N
XLogP0.87
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(methylamino)pyridin-2-one?
The IUPAC name of 1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(methylamino)pyridin-2-one (CID 137449053) is 1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(methylamino)pyridin-2-one.
What is the SMILES notation for 1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(methylamino)pyridin-2-one?
The canonical SMILES for 1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(methylamino)pyridin-2-one is CNc1cccn([C@H]2CCOC[C@H]2OC)c1=O.
What is the InChIKey of 1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(methylamino)pyridin-2-one?
The InChIKey is LRFCXJUAHVPJBV-WDEREUQCSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-13-9-4-3-6-14(12(9)15)10-5-7-17-8-11(10)16-2/h3-4,6,10-11,13H,5,7-8H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of 1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(methylamino)pyridin-2-one?
1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(methylamino)pyridin-2-one has a molecular weight of 238.29 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(methylamino)pyridin-2-one is sourced from PubChem (CID 137449053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).