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

C14H22N2O2 — CID 137457479

IUPAC1-[(1S,2R)-2-hydroxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cccn([C@H]2CCCC[C@H]2O)c1=O
InChIInChI=1S/C14H22N2O2/c1-10(2)15-11-6-5-9-16(14(11)18)12-7-3-4-8-13(12)17/h5-6,9-10,12-13,15,17H,3-4,7-8H2,1-2H3/t12-,13+/m0/s1
InChIKeyFHOZZEGKSFEAJJ-QWHCGFSZSA-N
MW250.34 g/mol
LogP2.14
Rot. Bonds3

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

1-[(1S,2R)-2-hydroxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one (PubChem CID 137457479) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[(1S,2R)-2-hydroxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name1-[(1S,2R)-2-hydroxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one
PubChem CID137457479
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[(1S,2R)-2-hydroxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cccn([C@H]2CCCC[C@H]2O)c1=O
InChIInChI=1S/C14H22N2O2/c1-10(2)15-11-6-5-9-16(14(11)18)12-7-3-4-8-13(12)17/h5-6,9-10,12-13,15,17H,3-4,7-8H2,1-2H3/t12-,13+/m0/s1
InChIKeyFHOZZEGKSFEAJJ-QWHCGFSZSA-N
XLogP2.14
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-hydroxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one?
The IUPAC name of 1-[(1S,2R)-2-hydroxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one (CID 137457479) is 1-[(1S,2R)-2-hydroxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 1-[(1S,2R)-2-hydroxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one?
The canonical SMILES for 1-[(1S,2R)-2-hydroxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one is CC(C)Nc1cccn([C@H]2CCCC[C@H]2O)c1=O.
What is the InChIKey of 1-[(1S,2R)-2-hydroxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one?
The InChIKey is FHOZZEGKSFEAJJ-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)15-11-6-5-9-16(14(11)18)12-7-3-4-8-13(12)17/h5-6,9-10,12-13,15,17H,3-4,7-8H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of 1-[(1S,2R)-2-hydroxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one?
1-[(1S,2R)-2-hydroxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one has a molecular weight of 250.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-hydroxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 137457479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).