1-[4-(dimethylamino)butyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one

C16H27N3O3 — CID 94960996

IUPAC1-[4-(dimethylamino)butyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one
SMILESCN(C)CCCCn1cc(O)c(=O)cc1CN1CCOCC1
InChIInChI=1S/C16H27N3O3/c1-17(2)5-3-4-6-19-13-16(21)15(20)11-14(19)12-18-7-9-22-10-8-18/h11,13,21H,3-10,12H2,1-2H3
InChIKeyPWEFCKDNUTXGEE-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.73
Rot. Bonds7

About 1-[4-(dimethylamino)butyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one

1-[4-(dimethylamino)butyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one (PubChem CID 94960996) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-[4-(dimethylamino)butyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)butyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one
PubChem CID94960996
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name1-[4-(dimethylamino)butyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one
SMILESCN(C)CCCCn1cc(O)c(=O)cc1CN1CCOCC1
InChIInChI=1S/C16H27N3O3/c1-17(2)5-3-4-6-19-13-16(21)15(20)11-14(19)12-18-7-9-22-10-8-18/h11,13,21H,3-10,12H2,1-2H3
InChIKeyPWEFCKDNUTXGEE-UHFFFAOYSA-N
XLogP0.73
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethoxypropyl)-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82218677
1-[2-(dimethylamino)ethyl]-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 82218906
5-hydroxy-1-(2-hydroxypropyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82218215
5-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 94961030
5-hydroxy-2-(morpholin-4-ylmethyl)-1-prop-2-enylpyridin-4-one
CID 82218404
5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-pentylpyridin-4-one
CID 82218336
1-[4-(dimethylamino)butyl]-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one
CID 82218872
1-[2-(cyclohexen-1-yl)ethyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 94961024
5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-pentylpyridin-4-one
CID 82218327
1-[2-(dimethylamino)ethyl]-5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82218887
5-hydroxy-1-(2-hydroxyethyl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one
CID 82217995
5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-propylpyridin-4-one
CID 82218115

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)butyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one?
The IUPAC name of 1-[4-(dimethylamino)butyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one (CID 94960996) is 1-[4-(dimethylamino)butyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one.
What is the SMILES notation for 1-[4-(dimethylamino)butyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one?
The canonical SMILES for 1-[4-(dimethylamino)butyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one is CN(C)CCCCn1cc(O)c(=O)cc1CN1CCOCC1.
What is the InChIKey of 1-[4-(dimethylamino)butyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one?
The InChIKey is PWEFCKDNUTXGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-17(2)5-3-4-6-19-13-16(21)15(20)11-14(19)12-18-7-9-22-10-8-18/h11,13,21H,3-10,12H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)butyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one?
1-[4-(dimethylamino)butyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one has a molecular weight of 309.41 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)butyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one is sourced from PubChem (CID 94960996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).