1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(propan-2-ylamino)pyridin-2-one

C13H18N2O2 — CID 137457480

IUPAC1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cccn(C2[C@H]3COC[C@@H]23)c1=O
InChIInChI=1S/C13H18N2O2/c1-8(2)14-11-4-3-5-15(13(11)16)12-9-6-17-7-10(9)12/h3-5,8-10,12,14H,6-7H2,1-2H3/t9-,10+,12?
InChIKeyUWDAPPNHQJUHFL-DHHPTOIESA-N
MW234.30 g/mol
LogP1.49
Rot. Bonds3

About 1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(propan-2-ylamino)pyridin-2-one

1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(propan-2-ylamino)pyridin-2-one (PubChem CID 137457480) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(propan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(propan-2-ylamino)pyridin-2-one
PubChem CID137457480
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cccn(C2[C@H]3COC[C@@H]23)c1=O
InChIInChI=1S/C13H18N2O2/c1-8(2)14-11-4-3-5-15(13(11)16)12-9-6-17-7-10(9)12/h3-5,8-10,12,14H,6-7H2,1-2H3/t9-,10+,12?
InChIKeyUWDAPPNHQJUHFL-DHHPTOIESA-N
XLogP1.49
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(propan-2-ylamino)pyridin-2-one with MolForge

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Related Compounds

2-(3-methyl-2-oxo-1-pyridinyl)-N-(oxan-4-yl)acetamide
CID 113231581
6-[(3R)-3-cyclopropylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 129344736
5-Fluoro-1-(oxan-4-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 137457676
1-[(3R)-oxan-3-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137449085
3-(Methylamino)-1-(oxan-4-yl)pyridin-2-one
CID 137449095
3-(Methylamino)-1-(oxan-3-yl)pyridin-2-one
CID 137449426
tert-butyl N-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]carbamate
CID 137450261
3-amino-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one
CID 137450530
N-[1,2-Dihydro-2-oxo-1-(tetrahydro-2H-pyran-3-yl)-3-pyridinyl]acetamide
CID 137450779
N-[1,2-Dihydro-2-oxo-1-(tetrahydro-2H-pyran-4-yl)-3-pyridinyl]acetamide
CID 137450905
1-(Oxan-4-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 137457485
3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one
CID 139373545

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(propan-2-ylamino)pyridin-2-one?
The IUPAC name of 1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(propan-2-ylamino)pyridin-2-one (CID 137457480) is 1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(propan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(propan-2-ylamino)pyridin-2-one?
The canonical SMILES for 1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(propan-2-ylamino)pyridin-2-one is CC(C)Nc1cccn(C2[C@H]3COC[C@@H]23)c1=O.
What is the InChIKey of 1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(propan-2-ylamino)pyridin-2-one?
The InChIKey is UWDAPPNHQJUHFL-DHHPTOIESA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8(2)14-11-4-3-5-15(13(11)16)12-9-6-17-7-10(9)12/h3-5,8-10,12,14H,6-7H2,1-2H3/t9-,10+,12?.
What are the key properties of 1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(propan-2-ylamino)pyridin-2-one?
1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(propan-2-ylamino)pyridin-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(propan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 137457480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).