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

C12H18N2O2 — CID 137457494

IUPAC1-[(1S,2S)-2-methoxycyclopropyl]-3-(propan-2-ylamino)pyridin-2-one
SMILESCO[C@H]1C[C@@H]1n1cccc(NC(C)C)c1=O
InChIInChI=1S/C12H18N2O2/c1-8(2)13-9-5-4-6-14(12(9)15)10-7-11(10)16-3/h4-6,8,10-11,13H,7H2,1-3H3/t10-,11-/m0/s1
InChIKeyHQUYAVYOEBIQFK-QWRGUYRKSA-N
MW222.29 g/mol
LogP1.63
Rot. Bonds4

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

1-[(1S,2S)-2-methoxycyclopropyl]-3-(propan-2-ylamino)pyridin-2-one (PubChem CID 137457494) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[(1S,2S)-2-methoxycyclopropyl]-3-(propan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name1-[(1S,2S)-2-methoxycyclopropyl]-3-(propan-2-ylamino)pyridin-2-one
PubChem CID137457494
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[(1S,2S)-2-methoxycyclopropyl]-3-(propan-2-ylamino)pyridin-2-one
SMILESCO[C@H]1C[C@@H]1n1cccc(NC(C)C)c1=O
InChIInChI=1S/C12H18N2O2/c1-8(2)13-9-5-4-6-14(12(9)15)10-7-11(10)16-3/h4-6,8,10-11,13H,7H2,1-3H3/t10-,11-/m0/s1
InChIKeyHQUYAVYOEBIQFK-QWRGUYRKSA-N
XLogP1.63
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-methoxycyclopropyl]-3-(propan-2-ylamino)pyridin-2-one?
The IUPAC name of 1-[(1S,2S)-2-methoxycyclopropyl]-3-(propan-2-ylamino)pyridin-2-one (CID 137457494) is 1-[(1S,2S)-2-methoxycyclopropyl]-3-(propan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 1-[(1S,2S)-2-methoxycyclopropyl]-3-(propan-2-ylamino)pyridin-2-one?
The canonical SMILES for 1-[(1S,2S)-2-methoxycyclopropyl]-3-(propan-2-ylamino)pyridin-2-one is CO[C@H]1C[C@@H]1n1cccc(NC(C)C)c1=O.
What is the InChIKey of 1-[(1S,2S)-2-methoxycyclopropyl]-3-(propan-2-ylamino)pyridin-2-one?
The InChIKey is HQUYAVYOEBIQFK-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(2)13-9-5-4-6-14(12(9)15)10-7-11(10)16-3/h4-6,8,10-11,13H,7H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-methoxycyclopropyl]-3-(propan-2-ylamino)pyridin-2-one?
1-[(1S,2S)-2-methoxycyclopropyl]-3-(propan-2-ylamino)pyridin-2-one has a molecular weight of 222.29 g/mol, XLogP of 1.63, 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-methoxycyclopropyl]-3-(propan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 137457494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).