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

C10H14N2O2 — CID 137449076

IUPAC1-[(1R,2R)-2-hydroxycyclobutyl]-3-(methylamino)pyridin-2-one
SMILESCNc1cccn([C@@H]2CC[C@H]2O)c1=O
InChIInChI=1S/C10H14N2O2/c1-11-7-3-2-6-12(10(7)14)8-4-5-9(8)13/h2-3,6,8-9,11,13H,4-5H2,1H3/t8-,9-/m1/s1
InChIKeyNTDOQBBAKCHLOF-RKDXNWHRSA-N
MW194.23 g/mol
LogP0.59
Rot. Bonds2

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

1-[(1R,2R)-2-hydroxycyclobutyl]-3-(methylamino)pyridin-2-one (PubChem CID 137449076) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-[(1R,2R)-2-hydroxycyclobutyl]-3-(methylamino)pyridin-2-one.

Molecular Properties

Compound Name1-[(1R,2R)-2-hydroxycyclobutyl]-3-(methylamino)pyridin-2-one
PubChem CID137449076
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-[(1R,2R)-2-hydroxycyclobutyl]-3-(methylamino)pyridin-2-one
SMILESCNc1cccn([C@@H]2CC[C@H]2O)c1=O
InChIInChI=1S/C10H14N2O2/c1-11-7-3-2-6-12(10(7)14)8-4-5-9(8)13/h2-3,6,8-9,11,13H,4-5H2,1H3/t8-,9-/m1/s1
InChIKeyNTDOQBBAKCHLOF-RKDXNWHRSA-N
XLogP0.59
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyridine-2-carboxamide
CID 103846218
1-[(1S,2S)-2-methoxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one
CID 137449043
1-[(1R,2R)-2-methoxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one
CID 137449063
1-[(1S,2S)-2-hydroxycyclobutyl]-3-(methylamino)pyridin-2-one
CID 137449073
1-[(1R,2S)-2-hydroxycyclopentyl]-3-(methylamino)pyridin-2-one
CID 137449088
1-[(1R,2S)-2-hydroxycyclohexyl]-3-(methylamino)pyridin-2-one
CID 137449089
1-[(1S,2R)-2-hydroxycyclobutyl]-3-(methylamino)pyridin-2-one
CID 137449428
3-amino-1-[(1S,2S)-2-methoxycyclobutyl]pyridin-2-one
CID 137450543
tert-butyl N-[1-[(2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]carbamate
CID 137450636
3-amino-1-[(1R,2R)-2-hydroxycyclobutyl]pyridin-2-one
CID 137450803
3-amino-1-[(1S,2S)-2-hydroxycyclobutyl]pyridin-2-one
CID 137450805
3-amino-1-[(2S)-2-hydroxycyclobutyl]pyridin-2-one
CID 137450808

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-hydroxycyclobutyl]-3-(methylamino)pyridin-2-one?
The IUPAC name of 1-[(1R,2R)-2-hydroxycyclobutyl]-3-(methylamino)pyridin-2-one (CID 137449076) is 1-[(1R,2R)-2-hydroxycyclobutyl]-3-(methylamino)pyridin-2-one.
What is the SMILES notation for 1-[(1R,2R)-2-hydroxycyclobutyl]-3-(methylamino)pyridin-2-one?
The canonical SMILES for 1-[(1R,2R)-2-hydroxycyclobutyl]-3-(methylamino)pyridin-2-one is CNc1cccn([C@@H]2CC[C@H]2O)c1=O.
What is the InChIKey of 1-[(1R,2R)-2-hydroxycyclobutyl]-3-(methylamino)pyridin-2-one?
The InChIKey is NTDOQBBAKCHLOF-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-11-7-3-2-6-12(10(7)14)8-4-5-9(8)13/h2-3,6,8-9,11,13H,4-5H2,1H3/t8-,9-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-hydroxycyclobutyl]-3-(methylamino)pyridin-2-one?
1-[(1R,2R)-2-hydroxycyclobutyl]-3-(methylamino)pyridin-2-one has a molecular weight of 194.23 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-hydroxycyclobutyl]-3-(methylamino)pyridin-2-one is sourced from PubChem (CID 137449076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).