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

C12H18N2O2 — CID 137449075

IUPAC1-[(1S,3S)-3-hydroxycyclohexyl]-3-(methylamino)pyridin-2-one
SMILESCNc1cccn([C@H]2CCC[C@H](O)C2)c1=O
InChIInChI=1S/C12H18N2O2/c1-13-11-6-3-7-14(12(11)16)9-4-2-5-10(15)8-9/h3,6-7,9-10,13,15H,2,4-5,8H2,1H3/t9-,10-/m0/s1
InChIKeyKVDJQFATHJCBRC-UWVGGRQHSA-N
MW222.29 g/mol
LogP1.37
Rot. Bonds2

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

1-[(1S,3S)-3-hydroxycyclohexyl]-3-(methylamino)pyridin-2-one (PubChem CID 137449075) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[(1S,3S)-3-hydroxycyclohexyl]-3-(methylamino)pyridin-2-one.

Molecular Properties

Compound Name1-[(1S,3S)-3-hydroxycyclohexyl]-3-(methylamino)pyridin-2-one
PubChem CID137449075
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[(1S,3S)-3-hydroxycyclohexyl]-3-(methylamino)pyridin-2-one
SMILESCNc1cccn([C@H]2CCC[C@H](O)C2)c1=O
InChIInChI=1S/C12H18N2O2/c1-13-11-6-3-7-14(12(11)16)9-4-2-5-10(15)8-9/h3,6-7,9-10,13,15H,2,4-5,8H2,1H3/t9-,10-/m0/s1
InChIKeyKVDJQFATHJCBRC-UWVGGRQHSA-N
XLogP1.37
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3S)-3-hydroxycyclohexyl]-3-(methylamino)pyridin-2-one?
The IUPAC name of 1-[(1S,3S)-3-hydroxycyclohexyl]-3-(methylamino)pyridin-2-one (CID 137449075) is 1-[(1S,3S)-3-hydroxycyclohexyl]-3-(methylamino)pyridin-2-one.
What is the SMILES notation for 1-[(1S,3S)-3-hydroxycyclohexyl]-3-(methylamino)pyridin-2-one?
The canonical SMILES for 1-[(1S,3S)-3-hydroxycyclohexyl]-3-(methylamino)pyridin-2-one is CNc1cccn([C@H]2CCC[C@H](O)C2)c1=O.
What is the InChIKey of 1-[(1S,3S)-3-hydroxycyclohexyl]-3-(methylamino)pyridin-2-one?
The InChIKey is KVDJQFATHJCBRC-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-13-11-6-3-7-14(12(11)16)9-4-2-5-10(15)8-9/h3,6-7,9-10,13,15H,2,4-5,8H2,1H3/t9-,10-/m0/s1.
What are the key properties of 1-[(1S,3S)-3-hydroxycyclohexyl]-3-(methylamino)pyridin-2-one?
1-[(1S,3S)-3-hydroxycyclohexyl]-3-(methylamino)pyridin-2-one has a molecular weight of 222.29 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3S)-3-hydroxycyclohexyl]-3-(methylamino)pyridin-2-one is sourced from PubChem (CID 137449075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).