3-hydroxy-1-[3-[2-(3-hydroxy-2-oxo-1-pyridinyl)ethyl-[3-(3-hydroxy-2-oxo-1-pyridinyl)propyl]amino]propyl]pyridin-2-one

C23H28N4O6 — CID 54613678

IUPAC3-hydroxy-1-[3-[2-(3-hydroxy-2-oxo-1-pyridinyl)ethyl-[3-(3-hydroxy-2-oxo-1-pyridinyl)propyl]amino]propyl]pyridin-2-one
SMILESO=c1c(O)cccn1CCCN(CCCn1cccc(O)c1=O)CCn1cccc(O)c1=O
InChIInChI=1S/C23H28N4O6/c28-18-6-1-11-25(21(18)31)14-4-9-24(16-17-27-13-3-8-20(30)23(27)33)10-5-15-26-12-2-7-19(29)22(26)32/h1-3,6-8,11-13,28-30H,4-5,9-10,14-17H2
InChIKeyONTFPUBLPNCWND-UHFFFAOYSA-N
MW456.50 g/mol
LogP0.77
Rot. Bonds11

About 3-hydroxy-1-[3-[2-(3-hydroxy-2-oxo-1-pyridinyl)ethyl-[3-(3-hydroxy-2-oxo-1-pyridinyl)propyl]amino]propyl]pyridin-2-one

3-hydroxy-1-[3-[2-(3-hydroxy-2-oxo-1-pyridinyl)ethyl-[3-(3-hydroxy-2-oxo-1-pyridinyl)propyl]amino]propyl]pyridin-2-one (PubChem CID 54613678) has the molecular formula C23H28N4O6 and a molecular weight of 456.50 g/mol. Its IUPAC name is 3-hydroxy-1-[3-[2-(3-hydroxy-2-oxo-1-pyridinyl)ethyl-[3-(3-hydroxy-2-oxo-1-pyridinyl)propyl]amino]propyl]pyridin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[3-[2-(3-hydroxy-2-oxo-1-pyridinyl)ethyl-[3-(3-hydroxy-2-oxo-1-pyridinyl)propyl]amino]propyl]pyridin-2-one
PubChem CID54613678
Molecular FormulaC23H28N4O6
Molecular Weight456.50 g/mol
Exact Mass456.20
IUPAC Name3-hydroxy-1-[3-[2-(3-hydroxy-2-oxo-1-pyridinyl)ethyl-[3-(3-hydroxy-2-oxo-1-pyridinyl)propyl]amino]propyl]pyridin-2-one
SMILESO=c1c(O)cccn1CCCN(CCCn1cccc(O)c1=O)CCn1cccc(O)c1=O
InChIInChI=1S/C23H28N4O6/c28-18-6-1-11-25(21(18)31)14-4-9-24(16-17-27-13-3-8-20(30)23(27)33)10-5-15-26-12-2-7-19(29)22(26)32/h1-3,6-8,11-13,28-30H,4-5,9-10,14-17H2
InChIKeyONTFPUBLPNCWND-UHFFFAOYSA-N
XLogP0.77
TPSA129.93 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[3-[2-(3-hydroxy-2-oxo-1-pyridinyl)ethyl-[3-(3-hydroxy-2-oxo-1-pyridinyl)propyl]amino]propyl]pyridin-2-one?
The IUPAC name of 3-hydroxy-1-[3-[2-(3-hydroxy-2-oxo-1-pyridinyl)ethyl-[3-(3-hydroxy-2-oxo-1-pyridinyl)propyl]amino]propyl]pyridin-2-one (CID 54613678) is 3-hydroxy-1-[3-[2-(3-hydroxy-2-oxo-1-pyridinyl)ethyl-[3-(3-hydroxy-2-oxo-1-pyridinyl)propyl]amino]propyl]pyridin-2-one.
What is the SMILES notation for 3-hydroxy-1-[3-[2-(3-hydroxy-2-oxo-1-pyridinyl)ethyl-[3-(3-hydroxy-2-oxo-1-pyridinyl)propyl]amino]propyl]pyridin-2-one?
The canonical SMILES for 3-hydroxy-1-[3-[2-(3-hydroxy-2-oxo-1-pyridinyl)ethyl-[3-(3-hydroxy-2-oxo-1-pyridinyl)propyl]amino]propyl]pyridin-2-one is O=c1c(O)cccn1CCCN(CCCn1cccc(O)c1=O)CCn1cccc(O)c1=O.
What is the InChIKey of 3-hydroxy-1-[3-[2-(3-hydroxy-2-oxo-1-pyridinyl)ethyl-[3-(3-hydroxy-2-oxo-1-pyridinyl)propyl]amino]propyl]pyridin-2-one?
The InChIKey is ONTFPUBLPNCWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O6/c28-18-6-1-11-25(21(18)31)14-4-9-24(16-17-27-13-3-8-20(30)23(27)33)10-5-15-26-12-2-7-19(29)22(26)32/h1-3,6-8,11-13,28-30H,4-5,9-10,14-17H2.
What are the key properties of 3-hydroxy-1-[3-[2-(3-hydroxy-2-oxo-1-pyridinyl)ethyl-[3-(3-hydroxy-2-oxo-1-pyridinyl)propyl]amino]propyl]pyridin-2-one?
3-hydroxy-1-[3-[2-(3-hydroxy-2-oxo-1-pyridinyl)ethyl-[3-(3-hydroxy-2-oxo-1-pyridinyl)propyl]amino]propyl]pyridin-2-one has a molecular weight of 456.50 g/mol, XLogP of 0.77, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[3-[2-(3-hydroxy-2-oxo-1-pyridinyl)ethyl-[3-(3-hydroxy-2-oxo-1-pyridinyl)propyl]amino]propyl]pyridin-2-one is sourced from PubChem (CID 54613678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).