3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride

C12H20Cl2N2O4 — CID 24881388

IUPAC3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride
SMILESCl.Cl.Cn1c(CO)cc(=O)c(O)c1CN1CCOCC1
InChIInChI=1S/C12H18N2O4.2ClH/c1-13-9(8-15)6-11(16)12(17)10(13)7-14-2-4-18-5-3-14;;/h6,15,17H,2-5,7-8H2,1H3;2*1H
InChIKeyYCFWWXKZCQXWMP-UHFFFAOYSA-N
MW327.21 g/mol
LogP0.26
Rot. Bonds3

About 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride

3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride (PubChem CID 24881388) has the molecular formula C12H20Cl2N2O4 and a molecular weight of 327.21 g/mol. Its IUPAC name is 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride.

Molecular Properties

Compound Name3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride
PubChem CID24881388
Molecular FormulaC12H20Cl2N2O4
Molecular Weight327.21 g/mol
Exact Mass326.08
IUPAC Name3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride
SMILESCl.Cl.Cn1c(CO)cc(=O)c(O)c1CN1CCOCC1
InChIInChI=1S/C12H18N2O4.2ClH/c1-13-9(8-15)6-11(16)12(17)10(13)7-14-2-4-18-5-3-14;;/h6,15,17H,2-5,7-8H2,1H3;2*1H
InChIKeyYCFWWXKZCQXWMP-UHFFFAOYSA-N
XLogP0.26
TPSA74.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82217178
3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(4-phenylpiperazin-1-yl)methyl]pyridin-4-one
CID 71700816
1-cyclopropyl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82217889
1-butan-2-yl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82217135
2-[(4-benzhydrylpiperazin-1-yl)methyl]-3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)pyridin-4-one
CID 71708477
3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pyridin-4-one
CID 71701467
3-hydroxy-6-(hydroxymethyl)-1-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82217753
3-hydroxy-6-(hydroxymethyl)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 82217431
1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 82217385
1-(3-ethoxypropyl)-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 94959200
3-hydroxy-6-(hydroxymethyl)-1-(2-methoxyethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 82217685
2-(azepan-1-ylmethyl)-3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one
CID 94958490

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride?
The IUPAC name of 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride (CID 24881388) is 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride.
What is the SMILES notation for 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride?
The canonical SMILES for 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride is Cl.Cl.Cn1c(CO)cc(=O)c(O)c1CN1CCOCC1.
What is the InChIKey of 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride?
The InChIKey is YCFWWXKZCQXWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4.2ClH/c1-13-9(8-15)6-11(16)12(17)10(13)7-14-2-4-18-5-3-14;;/h6,15,17H,2-5,7-8H2,1H3;2*1H.
What are the key properties of 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride?
3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride has a molecular weight of 327.21 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride is sourced from PubChem (CID 24881388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).