2-[(dipropylamino)methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one

C15H26N2O4 — CID 82217152

IUPAC2-[(dipropylamino)methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one
SMILESCCCN(CCC)Cc1c(O)c(=O)cc(CO)n1CCO
InChIInChI=1S/C15H26N2O4/c1-3-5-16(6-4-2)10-13-15(21)14(20)9-12(11-19)17(13)7-8-18/h9,18-19,21H,3-8,10-11H2,1-2H3
InChIKeyQPKZVFNXMYTCHC-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.66
Rot. Bonds9

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

2-[(dipropylamino)methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one (PubChem CID 82217152) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[(dipropylamino)methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one.

Molecular Properties

Compound Name2-[(dipropylamino)methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one
PubChem CID82217152
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[(dipropylamino)methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one
SMILESCCCN(CCC)Cc1c(O)c(=O)cc(CO)n1CCO
InChIInChI=1S/C15H26N2O4/c1-3-5-16(6-4-2)10-13-15(21)14(20)9-12(11-19)17(13)7-8-18/h9,18-19,21H,3-8,10-11H2,1-2H3
InChIKeyQPKZVFNXMYTCHC-UHFFFAOYSA-N
XLogP0.66
TPSA85.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(dipropylamino)methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one?
The IUPAC name of 2-[(dipropylamino)methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one (CID 82217152) is 2-[(dipropylamino)methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one.
What is the SMILES notation for 2-[(dipropylamino)methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one?
The canonical SMILES for 2-[(dipropylamino)methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one is CCCN(CCC)Cc1c(O)c(=O)cc(CO)n1CCO.
What is the InChIKey of 2-[(dipropylamino)methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one?
The InChIKey is QPKZVFNXMYTCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-5-16(6-4-2)10-13-15(21)14(20)9-12(11-19)17(13)7-8-18/h9,18-19,21H,3-8,10-11H2,1-2H3.
What are the key properties of 2-[(dipropylamino)methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one?
2-[(dipropylamino)methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one has a molecular weight of 298.38 g/mol, XLogP of 0.66, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dipropylamino)methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one is sourced from PubChem (CID 82217152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).