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

C15H24N2O2 — CID 137449049

IUPAC1-(4-methoxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one
SMILESCOC1CCC(n2cccc(NC(C)C)c2=O)CC1
InChIInChI=1S/C15H24N2O2/c1-11(2)16-14-5-4-10-17(15(14)18)12-6-8-13(19-3)9-7-12/h4-5,10-13,16H,6-9H2,1-3H3
InChIKeyCOZQZXRIXRYLGP-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.80
Rot. Bonds4

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

1-(4-methoxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one (PubChem CID 137449049) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(4-methoxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name1-(4-methoxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one
PubChem CID137449049
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(4-methoxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one
SMILESCOC1CCC(n2cccc(NC(C)C)c2=O)CC1
InChIInChI=1S/C15H24N2O2/c1-11(2)16-14-5-4-10-17(15(14)18)12-6-8-13(19-3)9-7-12/h4-5,10-13,16H,6-9H2,1-3H3
InChIKeyCOZQZXRIXRYLGP-UHFFFAOYSA-N
XLogP2.80
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one?
The IUPAC name of 1-(4-methoxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one (CID 137449049) is 1-(4-methoxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 1-(4-methoxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one?
The canonical SMILES for 1-(4-methoxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one is COC1CCC(n2cccc(NC(C)C)c2=O)CC1.
What is the InChIKey of 1-(4-methoxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one?
The InChIKey is COZQZXRIXRYLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)16-14-5-4-10-17(15(14)18)12-6-8-13(19-3)9-7-12/h4-5,10-13,16H,6-9H2,1-3H3.
What are the key properties of 1-(4-methoxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one?
1-(4-methoxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one has a molecular weight of 264.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 137449049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).