1-(4-morpholin-4-ylcyclohexyl)-3-(propan-2-ylamino)pyridin-2-one

C18H29N3O2 — CID 137457478

IUPAC1-(4-morpholin-4-ylcyclohexyl)-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cccn(C2CCC(N3CCOCC3)CC2)c1=O
InChIInChI=1S/C18H29N3O2/c1-14(2)19-17-4-3-9-21(18(17)22)16-7-5-15(6-8-16)20-10-12-23-13-11-20/h3-4,9,14-16,19H,5-8,10-13H2,1-2H3
InChIKeyCPWMSPHOLLDCJB-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.48
Rot. Bonds4

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

1-(4-morpholin-4-ylcyclohexyl)-3-(propan-2-ylamino)pyridin-2-one (PubChem CID 137457478) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylcyclohexyl)-3-(propan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name1-(4-morpholin-4-ylcyclohexyl)-3-(propan-2-ylamino)pyridin-2-one
PubChem CID137457478
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-(4-morpholin-4-ylcyclohexyl)-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cccn(C2CCC(N3CCOCC3)CC2)c1=O
InChIInChI=1S/C18H29N3O2/c1-14(2)19-17-4-3-9-21(18(17)22)16-7-5-15(6-8-16)20-10-12-23-13-11-20/h3-4,9,14-16,19H,5-8,10-13H2,1-2H3
InChIKeyCPWMSPHOLLDCJB-UHFFFAOYSA-N
XLogP2.48
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylcyclohexyl)-3-(propan-2-ylamino)pyridin-2-one?
The IUPAC name of 1-(4-morpholin-4-ylcyclohexyl)-3-(propan-2-ylamino)pyridin-2-one (CID 137457478) is 1-(4-morpholin-4-ylcyclohexyl)-3-(propan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 1-(4-morpholin-4-ylcyclohexyl)-3-(propan-2-ylamino)pyridin-2-one?
The canonical SMILES for 1-(4-morpholin-4-ylcyclohexyl)-3-(propan-2-ylamino)pyridin-2-one is CC(C)Nc1cccn(C2CCC(N3CCOCC3)CC2)c1=O.
What is the InChIKey of 1-(4-morpholin-4-ylcyclohexyl)-3-(propan-2-ylamino)pyridin-2-one?
The InChIKey is CPWMSPHOLLDCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14(2)19-17-4-3-9-21(18(17)22)16-7-5-15(6-8-16)20-10-12-23-13-11-20/h3-4,9,14-16,19H,5-8,10-13H2,1-2H3.
What are the key properties of 1-(4-morpholin-4-ylcyclohexyl)-3-(propan-2-ylamino)pyridin-2-one?
1-(4-morpholin-4-ylcyclohexyl)-3-(propan-2-ylamino)pyridin-2-one has a molecular weight of 319.45 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylcyclohexyl)-3-(propan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 137457478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).