2-[(dimethylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one

C12H20N2O4 — CID 82217209

IUPAC2-[(dimethylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one
SMILESCN(C)Cc1c(O)c(=O)cc(CO)n1CCCO
InChIInChI=1S/C12H20N2O4/c1-13(2)7-10-12(18)11(17)6-9(8-16)14(10)4-3-5-15/h6,15-16,18H,3-5,7-8H2,1-2H3
InChIKeyDQUAHCKSORDYAK-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.51
Rot. Bonds6

About 2-[(dimethylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one

2-[(dimethylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one (PubChem CID 82217209) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one
PubChem CID82217209
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[(dimethylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one
SMILESCN(C)Cc1c(O)c(=O)cc(CO)n1CCCO
InChIInChI=1S/C12H20N2O4/c1-13(2)7-10-12(18)11(17)6-9(8-16)14(10)4-3-5-15/h6,15-16,18H,3-5,7-8H2,1-2H3
InChIKeyDQUAHCKSORDYAK-UHFFFAOYSA-N
XLogP-0.51
TPSA85.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one?
The IUPAC name of 2-[(dimethylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one (CID 82217209) is 2-[(dimethylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one.
What is the SMILES notation for 2-[(dimethylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one?
The canonical SMILES for 2-[(dimethylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one is CN(C)Cc1c(O)c(=O)cc(CO)n1CCCO.
What is the InChIKey of 2-[(dimethylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one?
The InChIKey is DQUAHCKSORDYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-13(2)7-10-12(18)11(17)6-9(8-16)14(10)4-3-5-15/h6,15-16,18H,3-5,7-8H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one?
2-[(dimethylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one has a molecular weight of 256.30 g/mol, XLogP of -0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one is sourced from PubChem (CID 82217209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).