4-hydroxy-3-[(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-pyridin-4-ylmethyl]-6-methyl-1H-pyridin-2-one

C18H17N3O4 — CID 54677316

IUPAC4-hydroxy-3-[(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-pyridin-4-ylmethyl]-6-methyl-1H-pyridin-2-one
SMILESCc1cc(O)c(C(c2ccncc2)c2c(O)cc(=O)[nH]c2C)c(=O)[nH]1
InChIInChI=1S/C18H17N3O4/c1-9-7-12(22)17(18(25)20-9)16(11-3-5-19-6-4-11)15-10(2)21-14(24)8-13(15)23/h3-8,16H,1-2H3,(H2,20,22,25)(H2,21,23,24)
InChIKeyYIUHBWLCPFAHBP-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.67
Rot. Bonds3

About 4-hydroxy-3-[(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-pyridin-4-ylmethyl]-6-methyl-1H-pyridin-2-one

4-hydroxy-3-[(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-pyridin-4-ylmethyl]-6-methyl-1H-pyridin-2-one (PubChem CID 54677316) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 4-hydroxy-3-[(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-pyridin-4-ylmethyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-pyridin-4-ylmethyl]-6-methyl-1H-pyridin-2-one
PubChem CID54677316
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name4-hydroxy-3-[(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-pyridin-4-ylmethyl]-6-methyl-1H-pyridin-2-one
SMILESCc1cc(O)c(C(c2ccncc2)c2c(O)cc(=O)[nH]c2C)c(=O)[nH]1
InChIInChI=1S/C18H17N3O4/c1-9-7-12(22)17(18(25)20-9)16(11-3-5-19-6-4-11)15-10(2)21-14(24)8-13(15)23/h3-8,16H,1-2H3,(H2,20,22,25)(H2,21,23,24)
InChIKeyYIUHBWLCPFAHBP-UHFFFAOYSA-N
XLogP1.67
TPSA119.07 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-pyridin-4-ylmethyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-3-[(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-pyridin-4-ylmethyl]-6-methyl-1H-pyridin-2-one (CID 54677316) is 4-hydroxy-3-[(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-pyridin-4-ylmethyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-[(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-pyridin-4-ylmethyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-3-[(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-pyridin-4-ylmethyl]-6-methyl-1H-pyridin-2-one is Cc1cc(O)c(C(c2ccncc2)c2c(O)cc(=O)[nH]c2C)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-3-[(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-pyridin-4-ylmethyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is YIUHBWLCPFAHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-9-7-12(22)17(18(25)20-9)16(11-3-5-19-6-4-11)15-10(2)21-14(24)8-13(15)23/h3-8,16H,1-2H3,(H2,20,22,25)(H2,21,23,24).
What are the key properties of 4-hydroxy-3-[(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-pyridin-4-ylmethyl]-6-methyl-1H-pyridin-2-one?
4-hydroxy-3-[(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-pyridin-4-ylmethyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 339.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-pyridin-4-ylmethyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 54677316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).