1-[2-(dimethylamino)ethyl]-3-[1-[1-[2-(dimethylamino)ethyl]-4-hydroxy-2-methyl-6-oxo-3-pyridinyl]-2-methylpropyl]-4-hydroxy-6-methylpyridin-2-one

C24H38N4O4 — CID 54677384

IUPAC1-[2-(dimethylamino)ethyl]-3-[1-[1-[2-(dimethylamino)ethyl]-4-hydroxy-2-methyl-6-oxo-3-pyridinyl]-2-methylpropyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1c(C(c2c(O)cc(C)n(CCN(C)C)c2=O)C(C)C)c(O)cc(=O)n1CCN(C)C
InChIInChI=1S/C24H38N4O4/c1-15(2)21(22-17(4)28(12-10-26(7)8)20(31)14-19(22)30)23-18(29)13-16(3)27(24(23)32)11-9-25(5)6/h13-15,21,29-30H,9-12H2,1-8H3
InChIKeyDGUWPCADPYSWKG-UHFFFAOYSA-N
MW446.59 g/mol
LogP1.95
Rot. Bonds9

About 1-[2-(dimethylamino)ethyl]-3-[1-[1-[2-(dimethylamino)ethyl]-4-hydroxy-2-methyl-6-oxo-3-pyridinyl]-2-methylpropyl]-4-hydroxy-6-methylpyridin-2-one

1-[2-(dimethylamino)ethyl]-3-[1-[1-[2-(dimethylamino)ethyl]-4-hydroxy-2-methyl-6-oxo-3-pyridinyl]-2-methylpropyl]-4-hydroxy-6-methylpyridin-2-one (PubChem CID 54677384) has the molecular formula C24H38N4O4 and a molecular weight of 446.59 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[1-[1-[2-(dimethylamino)ethyl]-4-hydroxy-2-methyl-6-oxo-3-pyridinyl]-2-methylpropyl]-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[1-[1-[2-(dimethylamino)ethyl]-4-hydroxy-2-methyl-6-oxo-3-pyridinyl]-2-methylpropyl]-4-hydroxy-6-methylpyridin-2-one
PubChem CID54677384
Molecular FormulaC24H38N4O4
Molecular Weight446.59 g/mol
Exact Mass446.29
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[1-[1-[2-(dimethylamino)ethyl]-4-hydroxy-2-methyl-6-oxo-3-pyridinyl]-2-methylpropyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1c(C(c2c(O)cc(C)n(CCN(C)C)c2=O)C(C)C)c(O)cc(=O)n1CCN(C)C
InChIInChI=1S/C24H38N4O4/c1-15(2)21(22-17(4)28(12-10-26(7)8)20(31)14-19(22)30)23-18(29)13-16(3)27(24(23)32)11-9-25(5)6/h13-15,21,29-30H,9-12H2,1-8H3
InChIKeyDGUWPCADPYSWKG-UHFFFAOYSA-N
XLogP1.95
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.59
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[1-[1-[2-(dimethylamino)ethyl]-4-hydroxy-2-methyl-6-oxo-3-pyridinyl]-2-methylpropyl]-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[1-[1-[2-(dimethylamino)ethyl]-4-hydroxy-2-methyl-6-oxo-3-pyridinyl]-2-methylpropyl]-4-hydroxy-6-methylpyridin-2-one (CID 54677384) is 1-[2-(dimethylamino)ethyl]-3-[1-[1-[2-(dimethylamino)ethyl]-4-hydroxy-2-methyl-6-oxo-3-pyridinyl]-2-methylpropyl]-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-[1-[1-[2-(dimethylamino)ethyl]-4-hydroxy-2-methyl-6-oxo-3-pyridinyl]-2-methylpropyl]-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-[1-[1-[2-(dimethylamino)ethyl]-4-hydroxy-2-methyl-6-oxo-3-pyridinyl]-2-methylpropyl]-4-hydroxy-6-methylpyridin-2-one is Cc1c(C(c2c(O)cc(C)n(CCN(C)C)c2=O)C(C)C)c(O)cc(=O)n1CCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[1-[1-[2-(dimethylamino)ethyl]-4-hydroxy-2-methyl-6-oxo-3-pyridinyl]-2-methylpropyl]-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is DGUWPCADPYSWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O4/c1-15(2)21(22-17(4)28(12-10-26(7)8)20(31)14-19(22)30)23-18(29)13-16(3)27(24(23)32)11-9-25(5)6/h13-15,21,29-30H,9-12H2,1-8H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[1-[1-[2-(dimethylamino)ethyl]-4-hydroxy-2-methyl-6-oxo-3-pyridinyl]-2-methylpropyl]-4-hydroxy-6-methylpyridin-2-one?
1-[2-(dimethylamino)ethyl]-3-[1-[1-[2-(dimethylamino)ethyl]-4-hydroxy-2-methyl-6-oxo-3-pyridinyl]-2-methylpropyl]-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 446.59 g/mol, XLogP of 1.95, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-[1-[1-[2-(dimethylamino)ethyl]-4-hydroxy-2-methyl-6-oxo-3-pyridinyl]-2-methylpropyl]-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 54677384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).