2-[[4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid

C16H15N3O6 — CID 118981513

IUPAC2-[[4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c2c(n(Cc3cccnc3)c1=O)COC2
InChIInChI=1S/C16H15N3O6/c20-12(21)5-18-15(23)13-14(22)10-7-25-8-11(10)19(16(13)24)6-9-2-1-3-17-4-9/h1-4,22H,5-8H2,(H,18,23)(H,20,21)
InChIKeyZXKARGOKHJIFTP-UHFFFAOYSA-N
MW345.31 g/mol
LogP-0.16
Rot. Bonds5

About 2-[[4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid

2-[[4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid (PubChem CID 118981513) has the molecular formula C16H15N3O6 and a molecular weight of 345.31 g/mol. Its IUPAC name is 2-[[4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid
PubChem CID118981513
Molecular FormulaC16H15N3O6
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC Name2-[[4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c2c(n(Cc3cccnc3)c1=O)COC2
InChIInChI=1S/C16H15N3O6/c20-12(21)5-18-15(23)13-14(22)10-7-25-8-11(10)19(16(13)24)6-9-2-1-3-17-4-9/h1-4,22H,5-8H2,(H,18,23)(H,20,21)
InChIKeyZXKARGOKHJIFTP-UHFFFAOYSA-N
XLogP-0.16
TPSA130.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid (CID 118981513) is 2-[[4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(O)c2c(n(Cc3cccnc3)c1=O)COC2.
What is the InChIKey of 2-[[4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid?
The InChIKey is ZXKARGOKHJIFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O6/c20-12(21)5-18-15(23)13-14(22)10-7-25-8-11(10)19(16(13)24)6-9-2-1-3-17-4-9/h1-4,22H,5-8H2,(H,18,23)(H,20,21).
What are the key properties of 2-[[4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid?
2-[[4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid has a molecular weight of 345.31 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 118981513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).