2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetic acid

C29H26N2O5 — CID 59145264

IUPAC2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CNC(=O)Cn2cc(C(c3ccccc3)c3ccccc3)ccc2=O)c1
InChIInChI=1S/C29H26N2O5/c32-26(30-17-21-8-7-13-25(16-21)36-20-28(34)35)19-31-18-24(14-15-27(31)33)29(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-16,18,29H,17,19-20H2,(H,30,32)(H,34,35)
InChIKeyOFOQUWFHBVCYCQ-UHFFFAOYSA-N
MW482.54 g/mol
LogP3.81
Rot. Bonds10

About 2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetic acid

2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetic acid (PubChem CID 59145264) has the molecular formula C29H26N2O5 and a molecular weight of 482.54 g/mol. Its IUPAC name is 2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetic acid
PubChem CID59145264
Molecular FormulaC29H26N2O5
Molecular Weight482.54 g/mol
Exact Mass482.18
IUPAC Name2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CNC(=O)Cn2cc(C(c3ccccc3)c3ccccc3)ccc2=O)c1
InChIInChI=1S/C29H26N2O5/c32-26(30-17-21-8-7-13-25(16-21)36-20-28(34)35)19-31-18-24(14-15-27(31)33)29(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-16,18,29H,17,19-20H2,(H,30,32)(H,34,35)
InChIKeyOFOQUWFHBVCYCQ-UHFFFAOYSA-N
XLogP3.81
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetic acid (CID 59145264) is 2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetic acid is O=C(O)COc1cccc(CNC(=O)Cn2cc(C(c3ccccc3)c3ccccc3)ccc2=O)c1.
What is the InChIKey of 2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetic acid?
The InChIKey is OFOQUWFHBVCYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O5/c32-26(30-17-21-8-7-13-25(16-21)36-20-28(34)35)19-31-18-24(14-15-27(31)33)29(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-16,18,29H,17,19-20H2,(H,30,32)(H,34,35).
What are the key properties of 2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetic acid?
2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetic acid has a molecular weight of 482.54 g/mol, XLogP of 3.81, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 59145264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).