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

C13H20N2O2 — CID 137449065

IUPAC1-[(1S,2R)-2-methoxycyclohexyl]-3-(methylamino)pyridin-2-one
SMILESCNc1cccn([C@H]2CCCC[C@H]2OC)c1=O
InChIInChI=1S/C13H20N2O2/c1-14-10-6-5-9-15(13(10)16)11-7-3-4-8-12(11)17-2/h5-6,9,11-12,14H,3-4,7-8H2,1-2H3/t11-,12+/m0/s1
InChIKeyNPJBHKHVSYDHFH-NWDGAFQWSA-N
MW236.31 g/mol
LogP2.02
Rot. Bonds3

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

1-[(1S,2R)-2-methoxycyclohexyl]-3-(methylamino)pyridin-2-one (PubChem CID 137449065) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[(1S,2R)-2-methoxycyclohexyl]-3-(methylamino)pyridin-2-one.

Molecular Properties

Compound Name1-[(1S,2R)-2-methoxycyclohexyl]-3-(methylamino)pyridin-2-one
PubChem CID137449065
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[(1S,2R)-2-methoxycyclohexyl]-3-(methylamino)pyridin-2-one
SMILESCNc1cccn([C@H]2CCCC[C@H]2OC)c1=O
InChIInChI=1S/C13H20N2O2/c1-14-10-6-5-9-15(13(10)16)11-7-3-4-8-12(11)17-2/h5-6,9,11-12,14H,3-4,7-8H2,1-2H3/t11-,12+/m0/s1
InChIKeyNPJBHKHVSYDHFH-NWDGAFQWSA-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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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-methoxycyclohexyl]-3-(methylamino)pyridin-2-one?
The IUPAC name of 1-[(1S,2R)-2-methoxycyclohexyl]-3-(methylamino)pyridin-2-one (CID 137449065) is 1-[(1S,2R)-2-methoxycyclohexyl]-3-(methylamino)pyridin-2-one.
What is the SMILES notation for 1-[(1S,2R)-2-methoxycyclohexyl]-3-(methylamino)pyridin-2-one?
The canonical SMILES for 1-[(1S,2R)-2-methoxycyclohexyl]-3-(methylamino)pyridin-2-one is CNc1cccn([C@H]2CCCC[C@H]2OC)c1=O.
What is the InChIKey of 1-[(1S,2R)-2-methoxycyclohexyl]-3-(methylamino)pyridin-2-one?
The InChIKey is NPJBHKHVSYDHFH-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-14-10-6-5-9-15(13(10)16)11-7-3-4-8-12(11)17-2/h5-6,9,11-12,14H,3-4,7-8H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of 1-[(1S,2R)-2-methoxycyclohexyl]-3-(methylamino)pyridin-2-one?
1-[(1S,2R)-2-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,2R)-2-methoxycyclohexyl]-3-(methylamino)pyridin-2-one is sourced from PubChem (CID 137449065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).