dimethyl 4-hydroxy-2,6-dipyridin-2-yl-1,2,3,6-tetrahydropyridine-3,5-dicarboxylate

C19H19N3O5 — CID 168967454

IUPACdimethyl 4-hydroxy-2,6-dipyridin-2-yl-1,2,3,6-tetrahydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(O)C(C(=O)OC)C(c2ccccn2)NC1c1ccccn1
InChIInChI=1S/C19H19N3O5/c1-26-18(24)13-15(11-7-3-5-9-20-11)22-16(12-8-4-6-10-21-12)14(17(13)23)19(25)27-2/h3-10,13,15-16,22-23H,1-2H3
InChIKeyITAANYBVVIQHBQ-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.64
Rot. Bonds4

About dimethyl 4-hydroxy-2,6-dipyridin-2-yl-1,2,3,6-tetrahydropyridine-3,5-dicarboxylate

dimethyl 4-hydroxy-2,6-dipyridin-2-yl-1,2,3,6-tetrahydropyridine-3,5-dicarboxylate (PubChem CID 168967454) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is dimethyl 4-hydroxy-2,6-dipyridin-2-yl-1,2,3,6-tetrahydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-hydroxy-2,6-dipyridin-2-yl-1,2,3,6-tetrahydropyridine-3,5-dicarboxylate
PubChem CID168967454
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Namedimethyl 4-hydroxy-2,6-dipyridin-2-yl-1,2,3,6-tetrahydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(O)C(C(=O)OC)C(c2ccccn2)NC1c1ccccn1
InChIInChI=1S/C19H19N3O5/c1-26-18(24)13-15(11-7-3-5-9-20-11)22-16(12-8-4-6-10-21-12)14(17(13)23)19(25)27-2/h3-10,13,15-16,22-23H,1-2H3
InChIKeyITAANYBVVIQHBQ-UHFFFAOYSA-N
XLogP1.64
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-hydroxy-2,6-dipyridin-2-yl-1,2,3,6-tetrahydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-hydroxy-2,6-dipyridin-2-yl-1,2,3,6-tetrahydropyridine-3,5-dicarboxylate (CID 168967454) is dimethyl 4-hydroxy-2,6-dipyridin-2-yl-1,2,3,6-tetrahydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-hydroxy-2,6-dipyridin-2-yl-1,2,3,6-tetrahydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-hydroxy-2,6-dipyridin-2-yl-1,2,3,6-tetrahydropyridine-3,5-dicarboxylate is COC(=O)C1=C(O)C(C(=O)OC)C(c2ccccn2)NC1c1ccccn1.
What is the InChIKey of dimethyl 4-hydroxy-2,6-dipyridin-2-yl-1,2,3,6-tetrahydropyridine-3,5-dicarboxylate?
The InChIKey is ITAANYBVVIQHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-26-18(24)13-15(11-7-3-5-9-20-11)22-16(12-8-4-6-10-21-12)14(17(13)23)19(25)27-2/h3-10,13,15-16,22-23H,1-2H3.
What are the key properties of dimethyl 4-hydroxy-2,6-dipyridin-2-yl-1,2,3,6-tetrahydropyridine-3,5-dicarboxylate?
dimethyl 4-hydroxy-2,6-dipyridin-2-yl-1,2,3,6-tetrahydropyridine-3,5-dicarboxylate has a molecular weight of 369.38 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-hydroxy-2,6-dipyridin-2-yl-1,2,3,6-tetrahydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 168967454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).