1-[(1S,2R)-2-methoxycyclopentyl]-3-(methylamino)pyridin-2-one

C12H18N2O2 — CID 137449069

IUPAC1-[(1S,2R)-2-methoxycyclopentyl]-3-(methylamino)pyridin-2-one
SMILESCNc1cccn([C@H]2CCC[C@H]2OC)c1=O
InChIInChI=1S/C12H18N2O2/c1-13-9-5-4-8-14(12(9)15)10-6-3-7-11(10)16-2/h4-5,8,10-11,13H,3,6-7H2,1-2H3/t10-,11+/m0/s1
InChIKeyLYWIKURMZCWQDA-WDEREUQCSA-N
MW222.29 g/mol
LogP1.63
Rot. Bonds3

About 1-[(1S,2R)-2-methoxycyclopentyl]-3-(methylamino)pyridin-2-one

1-[(1S,2R)-2-methoxycyclopentyl]-3-(methylamino)pyridin-2-one (PubChem CID 137449069) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[(1S,2R)-2-methoxycyclopentyl]-3-(methylamino)pyridin-2-one.

Molecular Properties

Compound Name1-[(1S,2R)-2-methoxycyclopentyl]-3-(methylamino)pyridin-2-one
PubChem CID137449069
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[(1S,2R)-2-methoxycyclopentyl]-3-(methylamino)pyridin-2-one
SMILESCNc1cccn([C@H]2CCC[C@H]2OC)c1=O
InChIInChI=1S/C12H18N2O2/c1-13-9-5-4-8-14(12(9)15)10-6-3-7-11(10)16-2/h4-5,8,10-11,13H,3,6-7H2,1-2H3/t10-,11+/m0/s1
InChIKeyLYWIKURMZCWQDA-WDEREUQCSA-N
XLogP1.63
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S,2S)-2-methoxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one
CID 137449043
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-[(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
1-[(1R,2S)-2-hydroxycyclopentyl]-3-(methylamino)pyridin-2-one
CID 137449088
3-(Methylamino)-1-(oxan-3-yl)pyridin-2-one
CID 137449426
3-(Methylamino)-1-(oxan-2-ylmethyl)pyridin-2-one
CID 137449432
3-amino-1-[(2R)-2-methoxycyclopentyl]pyridin-2-one
CID 137450052
3-amino-1-[(1R,2R)-2-methoxycyclopentyl]pyridin-2-one
CID 137450053

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-methoxycyclopentyl]-3-(methylamino)pyridin-2-one?
The IUPAC name of 1-[(1S,2R)-2-methoxycyclopentyl]-3-(methylamino)pyridin-2-one (CID 137449069) is 1-[(1S,2R)-2-methoxycyclopentyl]-3-(methylamino)pyridin-2-one.
What is the SMILES notation for 1-[(1S,2R)-2-methoxycyclopentyl]-3-(methylamino)pyridin-2-one?
The canonical SMILES for 1-[(1S,2R)-2-methoxycyclopentyl]-3-(methylamino)pyridin-2-one is CNc1cccn([C@H]2CCC[C@H]2OC)c1=O.
What is the InChIKey of 1-[(1S,2R)-2-methoxycyclopentyl]-3-(methylamino)pyridin-2-one?
The InChIKey is LYWIKURMZCWQDA-WDEREUQCSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-13-9-5-4-8-14(12(9)15)10-6-3-7-11(10)16-2/h4-5,8,10-11,13H,3,6-7H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of 1-[(1S,2R)-2-methoxycyclopentyl]-3-(methylamino)pyridin-2-one?
1-[(1S,2R)-2-methoxycyclopentyl]-3-(methylamino)pyridin-2-one has a molecular weight of 222.29 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-methoxycyclopentyl]-3-(methylamino)pyridin-2-one is sourced from PubChem (CID 137449069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).