1-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one

C14H22N2O2 — CID 139383928

IUPAC1-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cccn(C2CCC(O)CC2)c1=O
InChIInChI=1S/C14H22N2O2/c1-10(2)15-13-4-3-9-16(14(13)18)11-5-7-12(17)8-6-11/h3-4,9-12,15,17H,5-8H2,1-2H3
InChIKeyVAGMLOZPHNCBAE-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.14
Rot. Bonds3

About 1-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one

1-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one (PubChem CID 139383928) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one
PubChem CID139383928
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cccn(C2CCC(O)CC2)c1=O
InChIInChI=1S/C14H22N2O2/c1-10(2)15-13-4-3-9-16(14(13)18)11-5-7-12(17)8-6-11/h3-4,9-12,15,17H,5-8H2,1-2H3
InChIKeyVAGMLOZPHNCBAE-UHFFFAOYSA-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-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one (CID 139383928) is 1-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one is CC(C)Nc1cccn(C2CCC(O)CC2)c1=O.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one?
The InChIKey is VAGMLOZPHNCBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)15-13-4-3-9-16(14(13)18)11-5-7-12(17)8-6-11/h3-4,9-12,15,17H,5-8H2,1-2H3.
What are the key properties of 1-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one?
1-(4-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-(4-hydroxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 139383928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).