1-[(1S,2S)-2-methoxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one

C13H20N2O2 — CID 137449043

IUPAC1-[(1S,2S)-2-methoxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one
SMILESCO[C@H]1CC[C@@H]1n1cccc(NC(C)C)c1=O
InChIInChI=1S/C13H20N2O2/c1-9(2)14-10-5-4-8-15(13(10)16)11-6-7-12(11)17-3/h4-5,8-9,11-12,14H,6-7H2,1-3H3/t11-,12-/m0/s1
InChIKeyLKMDVVKKQMXVKH-RYUDHWBXSA-N
MW236.31 g/mol
LogP2.02
Rot. Bonds4

About 1-[(1S,2S)-2-methoxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one

1-[(1S,2S)-2-methoxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one (PubChem CID 137449043) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[(1S,2S)-2-methoxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name1-[(1S,2S)-2-methoxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one
PubChem CID137449043
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[(1S,2S)-2-methoxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one
SMILESCO[C@H]1CC[C@@H]1n1cccc(NC(C)C)c1=O
InChIInChI=1S/C13H20N2O2/c1-9(2)14-10-5-4-8-15(13(10)16)11-6-7-12(11)17-3/h4-5,8-9,11-12,14H,6-7H2,1-3H3/t11-,12-/m0/s1
InChIKeyLKMDVVKKQMXVKH-RYUDHWBXSA-N
XLogP2.02
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1S,2S)-2-methoxycyclobutyl]-3-(propan-2-ylamino)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

5-fluoro-1-[(3S)-oxan-3-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 139373474
5-fluoro-1-[(3R)-oxan-3-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 139383745
5-Fluoro-1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 139390394
1-[(1S,2S)-2-fluorocyclopropyl]-6-[(1S,2S)-2-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]cyclobutyl]oxy-3-(propan-2-ylamino)pyridin-2-one
CID 139425541
1-[1-Methoxy-2-(propan-2-ylamino)ethyl]pyridin-2-one
CID 134278026
1-[(1R,2S)-2-methoxycyclopentyl]-3-(propan-2-ylamino)pyridin-2-one
CID 137449050
1-[(1S,2S)-2-methoxycyclopentyl]-3-(methylamino)pyridin-2-one
CID 137449051
1-[(1R,2S)-2-methoxycyclohexyl]-3-(methylamino)pyridin-2-one
CID 137449052
1-[(1R,2R)-2-methoxycyclopentyl]-3-(methylamino)pyridin-2-one
CID 137449056
1-(2-Methoxyethyl)-3-(methylamino)pyridin-2-one
CID 137449062
1-[(1R,2R)-2-methoxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one
CID 137449063
1-[(1S,2R)-2-methoxycyclohexyl]-3-(methylamino)pyridin-2-one
CID 137449065

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-methoxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one?
The IUPAC name of 1-[(1S,2S)-2-methoxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one (CID 137449043) is 1-[(1S,2S)-2-methoxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 1-[(1S,2S)-2-methoxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one?
The canonical SMILES for 1-[(1S,2S)-2-methoxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one is CO[C@H]1CC[C@@H]1n1cccc(NC(C)C)c1=O.
What is the InChIKey of 1-[(1S,2S)-2-methoxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one?
The InChIKey is LKMDVVKKQMXVKH-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)14-10-5-4-8-15(13(10)16)11-6-7-12(11)17-3/h4-5,8-9,11-12,14H,6-7H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-methoxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one?
1-[(1S,2S)-2-methoxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one has a molecular weight of 236.31 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-methoxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 137449043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).