methyl 2-[(3-hydroxy-5-pyridin-2-ylpyridine-2-carbonyl)amino]acetate;methyl 2-[(3-hydroxy-5-pyridin-3-ylpyridine-2-carbonyl)amino]acetate

C28H26N6O8 — CID 157422619

IUPACmethyl 2-[(3-hydroxy-5-pyridin-2-ylpyridine-2-carbonyl)amino]acetate;methyl 2-[(3-hydroxy-5-pyridin-3-ylpyridine-2-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ncc(-c2ccccn2)cc1O.COC(=O)CNC(=O)c1ncc(-c2cccnc2)cc1O
InChIInChI=1S/2C14H13N3O4/c1-21-12(19)8-17-14(20)13-11(18)5-10(7-16-13)9-3-2-4-15-6-9;1-21-12(19)8-17-14(20)13-11(18)6-9(7-16-13)10-4-2-3-5-15-10/h2*2-7,18H,8H2,1H3,(H,17,20)
InChIKeyBPOXBFJYHNNONH-UHFFFAOYSA-N
MW574.55 g/mol
LogP1.50
Rot. Bonds8

About methyl 2-[(3-hydroxy-5-pyridin-2-ylpyridine-2-carbonyl)amino]acetate;methyl 2-[(3-hydroxy-5-pyridin-3-ylpyridine-2-carbonyl)amino]acetate

methyl 2-[(3-hydroxy-5-pyridin-2-ylpyridine-2-carbonyl)amino]acetate;methyl 2-[(3-hydroxy-5-pyridin-3-ylpyridine-2-carbonyl)amino]acetate (PubChem CID 157422619) has the molecular formula C28H26N6O8 and a molecular weight of 574.55 g/mol. Its IUPAC name is methyl 2-[(3-hydroxy-5-pyridin-2-ylpyridine-2-carbonyl)amino]acetate;methyl 2-[(3-hydroxy-5-pyridin-3-ylpyridine-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-hydroxy-5-pyridin-2-ylpyridine-2-carbonyl)amino]acetate;methyl 2-[(3-hydroxy-5-pyridin-3-ylpyridine-2-carbonyl)amino]acetate
PubChem CID157422619
Molecular FormulaC28H26N6O8
Molecular Weight574.55 g/mol
Exact Mass574.18
IUPAC Namemethyl 2-[(3-hydroxy-5-pyridin-2-ylpyridine-2-carbonyl)amino]acetate;methyl 2-[(3-hydroxy-5-pyridin-3-ylpyridine-2-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ncc(-c2ccccn2)cc1O.COC(=O)CNC(=O)c1ncc(-c2cccnc2)cc1O
InChIInChI=1S/2C14H13N3O4/c1-21-12(19)8-17-14(20)13-11(18)5-10(7-16-13)9-3-2-4-15-6-9;1-21-12(19)8-17-14(20)13-11(18)6-9(7-16-13)10-4-2-3-5-15-10/h2*2-7,18H,8H2,1H3,(H,17,20)
InChIKeyBPOXBFJYHNNONH-UHFFFAOYSA-N
XLogP1.50
TPSA202.82 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.55
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-hydroxy-5-pyridin-2-ylpyridine-2-carbonyl)amino]acetate;methyl 2-[(3-hydroxy-5-pyridin-3-ylpyridine-2-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(3-hydroxy-5-pyridin-2-ylpyridine-2-carbonyl)amino]acetate;methyl 2-[(3-hydroxy-5-pyridin-3-ylpyridine-2-carbonyl)amino]acetate (CID 157422619) is methyl 2-[(3-hydroxy-5-pyridin-2-ylpyridine-2-carbonyl)amino]acetate;methyl 2-[(3-hydroxy-5-pyridin-3-ylpyridine-2-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(3-hydroxy-5-pyridin-2-ylpyridine-2-carbonyl)amino]acetate;methyl 2-[(3-hydroxy-5-pyridin-3-ylpyridine-2-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(3-hydroxy-5-pyridin-2-ylpyridine-2-carbonyl)amino]acetate;methyl 2-[(3-hydroxy-5-pyridin-3-ylpyridine-2-carbonyl)amino]acetate is COC(=O)CNC(=O)c1ncc(-c2ccccn2)cc1O.COC(=O)CNC(=O)c1ncc(-c2cccnc2)cc1O.
What is the InChIKey of methyl 2-[(3-hydroxy-5-pyridin-2-ylpyridine-2-carbonyl)amino]acetate;methyl 2-[(3-hydroxy-5-pyridin-3-ylpyridine-2-carbonyl)amino]acetate?
The InChIKey is BPOXBFJYHNNONH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H13N3O4/c1-21-12(19)8-17-14(20)13-11(18)5-10(7-16-13)9-3-2-4-15-6-9;1-21-12(19)8-17-14(20)13-11(18)6-9(7-16-13)10-4-2-3-5-15-10/h2*2-7,18H,8H2,1H3,(H,17,20).
What are the key properties of methyl 2-[(3-hydroxy-5-pyridin-2-ylpyridine-2-carbonyl)amino]acetate;methyl 2-[(3-hydroxy-5-pyridin-3-ylpyridine-2-carbonyl)amino]acetate?
methyl 2-[(3-hydroxy-5-pyridin-2-ylpyridine-2-carbonyl)amino]acetate;methyl 2-[(3-hydroxy-5-pyridin-3-ylpyridine-2-carbonyl)amino]acetate has a molecular weight of 574.55 g/mol, XLogP of 1.50, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-hydroxy-5-pyridin-2-ylpyridine-2-carbonyl)amino]acetate;methyl 2-[(3-hydroxy-5-pyridin-3-ylpyridine-2-carbonyl)amino]acetate is sourced from PubChem (CID 157422619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).