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

C13H20N2O2 — CID 137449058

IUPAC1-[(1S,3R)-3-methoxycyclohexyl]-3-(methylamino)pyridin-2-one
SMILESCNc1cccn([C@H]2CCC[C@@H](OC)C2)c1=O
InChIInChI=1S/C13H20N2O2/c1-14-12-7-4-8-15(13(12)16)10-5-3-6-11(9-10)17-2/h4,7-8,10-11,14H,3,5-6,9H2,1-2H3/t10-,11+/m0/s1
InChIKeyGUJKQTMLZASFGS-WDEREUQCSA-N
MW236.31 g/mol
LogP2.02
Rot. Bonds3

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

1-[(1S,3R)-3-methoxycyclohexyl]-3-(methylamino)pyridin-2-one (PubChem CID 137449058) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[(1S,3R)-3-methoxycyclohexyl]-3-(methylamino)pyridin-2-one.

Molecular Properties

Compound Name1-[(1S,3R)-3-methoxycyclohexyl]-3-(methylamino)pyridin-2-one
PubChem CID137449058
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[(1S,3R)-3-methoxycyclohexyl]-3-(methylamino)pyridin-2-one
SMILESCNc1cccn([C@H]2CCC[C@@H](OC)C2)c1=O
InChIInChI=1S/C13H20N2O2/c1-14-12-7-4-8-15(13(12)16)10-5-3-6-11(9-10)17-2/h4,7-8,10-11,14H,3,5-6,9H2,1-2H3/t10-,11+/m0/s1
InChIKeyGUJKQTMLZASFGS-WDEREUQCSA-N
XLogP2.02
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

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Related Compounds

2-(2-oxo-1-pyridinyl)-N-[(1R,3R)-3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
CID 40053261
2-(2-oxo-1-pyridinyl)-N-[(1R,3S)-3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
CID 40053263
2-(2-oxo-1-pyridinyl)-N-[(1S,3R)-3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
CID 40053265
2-(2-oxo-1-pyridinyl)-N-[(1S,3S)-3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
CID 40053266
2-(2-oxo-1-pyridinyl)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
CID 42957237
1-(4-Methoxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one
CID 137449049
1-[(1R,2S)-2-methoxycyclohexyl]-3-(methylamino)pyridin-2-one
CID 137449052
1-[(1R,3S)-3-methoxycyclohexyl]-3-(methylamino)pyridin-2-one
CID 137449054
1-[(1S,2R)-2-methoxycyclohexyl]-3-(methylamino)pyridin-2-one
CID 137449065
1-(4-Methoxycyclohexyl)-3-(methylamino)pyridin-2-one
CID 137449067
1-[(1S,3S)-3-hydroxycyclohexyl]-3-(methylamino)pyridin-2-one
CID 137449075
1-[(1R,3R)-3-hydroxycyclohexyl]-3-(methylamino)pyridin-2-one
CID 137449080

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3R)-3-methoxycyclohexyl]-3-(methylamino)pyridin-2-one?
The IUPAC name of 1-[(1S,3R)-3-methoxycyclohexyl]-3-(methylamino)pyridin-2-one (CID 137449058) is 1-[(1S,3R)-3-methoxycyclohexyl]-3-(methylamino)pyridin-2-one.
What is the SMILES notation for 1-[(1S,3R)-3-methoxycyclohexyl]-3-(methylamino)pyridin-2-one?
The canonical SMILES for 1-[(1S,3R)-3-methoxycyclohexyl]-3-(methylamino)pyridin-2-one is CNc1cccn([C@H]2CCC[C@@H](OC)C2)c1=O.
What is the InChIKey of 1-[(1S,3R)-3-methoxycyclohexyl]-3-(methylamino)pyridin-2-one?
The InChIKey is GUJKQTMLZASFGS-WDEREUQCSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-14-12-7-4-8-15(13(12)16)10-5-3-6-11(9-10)17-2/h4,7-8,10-11,14H,3,5-6,9H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of 1-[(1S,3R)-3-methoxycyclohexyl]-3-(methylamino)pyridin-2-one?
1-[(1S,3R)-3-methoxycyclohexyl]-3-(methylamino)pyridin-2-one has a molecular weight of 236.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3R)-3-methoxycyclohexyl]-3-(methylamino)pyridin-2-one is sourced from PubChem (CID 137449058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).