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

C11H16N2O3 — CID 159277400

IUPAC3-amino-1-[(3S)-3-methoxyoxan-4-yl]pyridin-2-one
SMILESCO[C@@H]1COCCC1n1cccc(N)c1=O
InChIInChI=1S/C11H16N2O3/c1-15-10-7-16-6-4-9(10)13-5-2-3-8(12)11(13)14/h2-3,5,9-10H,4,6-7,12H2,1H3/t9?,10-/m1/s1
InChIKeyQUCPZEGWEIOSGA-QVDQXJPCSA-N
MW224.26 g/mol
LogP0.41
Rot. Bonds2

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

3-amino-1-[(3S)-3-methoxyoxan-4-yl]pyridin-2-one (PubChem CID 159277400) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-amino-1-[(3S)-3-methoxyoxan-4-yl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(3S)-3-methoxyoxan-4-yl]pyridin-2-one
PubChem CID159277400
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-amino-1-[(3S)-3-methoxyoxan-4-yl]pyridin-2-one
SMILESCO[C@@H]1COCCC1n1cccc(N)c1=O
InChIInChI=1S/C11H16N2O3/c1-15-10-7-16-6-4-9(10)13-5-2-3-8(12)11(13)14/h2-3,5,9-10H,4,6-7,12H2,1H3/t9?,10-/m1/s1
InChIKeyQUCPZEGWEIOSGA-QVDQXJPCSA-N
XLogP0.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-amino-1-[(3S)-3-methoxyoxan-4-yl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-[(2R)-2-methoxycyclopentyl]pyridin-2-one
CID 137450052
3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one
CID 137441431
3-amino-1-[(1S,2S)-2-aminocyclobutyl]pyridin-2-one
CID 137457656
3-amino-1-[(1S,2R)-2-hydroxycyclobutyl]pyridin-2-one
CID 146572606
3-amino-1-[(4R)-4-methoxyoxan-3-yl]-5-methylpyridin-2-one
CID 170109969
3-amino-1-cyclopropylpyridin-2-one
CID 82466689
3-amino-1-[(2S)-2-hydroxycyclobutyl]pyridin-2-one;hydrochloride
CID 162308207
3-amino-1-[(1S,2R)-2-hydroxycyclopentyl]pyridin-2-one
CID 137457484
3-amino-1-[(2R)-2-fluorocyclopropyl]pyridin-2-one;hydrochloride
CID 162319124
3-amino-1-[(3R,4R)-4-methoxyoxan-3-yl]-5-(trifluoromethyl)pyridin-2-one
CID 166507387
3-amino-1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one
CID 137450536
N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(3R,4R)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560381

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3S)-3-methoxyoxan-4-yl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(3S)-3-methoxyoxan-4-yl]pyridin-2-one (CID 159277400) is 3-amino-1-[(3S)-3-methoxyoxan-4-yl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(3S)-3-methoxyoxan-4-yl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(3S)-3-methoxyoxan-4-yl]pyridin-2-one is CO[C@@H]1COCCC1n1cccc(N)c1=O.
What is the InChIKey of 3-amino-1-[(3S)-3-methoxyoxan-4-yl]pyridin-2-one?
The InChIKey is QUCPZEGWEIOSGA-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-15-10-7-16-6-4-9(10)13-5-2-3-8(12)11(13)14/h2-3,5,9-10H,4,6-7,12H2,1H3/t9?,10-/m1/s1.
What are the key properties of 3-amino-1-[(3S)-3-methoxyoxan-4-yl]pyridin-2-one?
3-amino-1-[(3S)-3-methoxyoxan-4-yl]pyridin-2-one has a molecular weight of 224.26 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(3S)-3-methoxyoxan-4-yl]pyridin-2-one is sourced from PubChem (CID 159277400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).