methyl 2-[[3-hydroxy-5-(3-phenoxyphenyl)pyridine-2-carbonyl]amino]acetate

C21H18N2O5 — CID 163253667

IUPACmethyl 2-[[3-hydroxy-5-(3-phenoxyphenyl)pyridine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ncc(-c2cccc(Oc3ccccc3)c2)cc1O
InChIInChI=1S/C21H18N2O5/c1-27-19(25)13-23-21(26)20-18(24)11-15(12-22-20)14-6-5-9-17(10-14)28-16-7-3-2-4-8-16/h2-12,24H,13H2,1H3,(H,23,26)
InChIKeyYBVPRTQIKKOCPP-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.15
Rot. Bonds6

About methyl 2-[[3-hydroxy-5-(3-phenoxyphenyl)pyridine-2-carbonyl]amino]acetate

methyl 2-[[3-hydroxy-5-(3-phenoxyphenyl)pyridine-2-carbonyl]amino]acetate (PubChem CID 163253667) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is methyl 2-[[3-hydroxy-5-(3-phenoxyphenyl)pyridine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-hydroxy-5-(3-phenoxyphenyl)pyridine-2-carbonyl]amino]acetate
PubChem CID163253667
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Namemethyl 2-[[3-hydroxy-5-(3-phenoxyphenyl)pyridine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ncc(-c2cccc(Oc3ccccc3)c2)cc1O
InChIInChI=1S/C21H18N2O5/c1-27-19(25)13-23-21(26)20-18(24)11-15(12-22-20)14-6-5-9-17(10-14)28-16-7-3-2-4-8-16/h2-12,24H,13H2,1H3,(H,23,26)
InChIKeyYBVPRTQIKKOCPP-UHFFFAOYSA-N
XLogP3.15
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-hydroxy-5-(3-phenoxyphenyl)pyridine-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[3-hydroxy-5-(3-phenoxyphenyl)pyridine-2-carbonyl]amino]acetate (CID 163253667) is methyl 2-[[3-hydroxy-5-(3-phenoxyphenyl)pyridine-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-hydroxy-5-(3-phenoxyphenyl)pyridine-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[3-hydroxy-5-(3-phenoxyphenyl)pyridine-2-carbonyl]amino]acetate is COC(=O)CNC(=O)c1ncc(-c2cccc(Oc3ccccc3)c2)cc1O.
What is the InChIKey of methyl 2-[[3-hydroxy-5-(3-phenoxyphenyl)pyridine-2-carbonyl]amino]acetate?
The InChIKey is YBVPRTQIKKOCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-27-19(25)13-23-21(26)20-18(24)11-15(12-22-20)14-6-5-9-17(10-14)28-16-7-3-2-4-8-16/h2-12,24H,13H2,1H3,(H,23,26).
What are the key properties of methyl 2-[[3-hydroxy-5-(3-phenoxyphenyl)pyridine-2-carbonyl]amino]acetate?
methyl 2-[[3-hydroxy-5-(3-phenoxyphenyl)pyridine-2-carbonyl]amino]acetate has a molecular weight of 378.38 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-hydroxy-5-(3-phenoxyphenyl)pyridine-2-carbonyl]amino]acetate is sourced from PubChem (CID 163253667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).