methyl 4-[(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]pyridine-2-carboxylate

C19H19NO5 — CID 58055565

IUPACmethyl 4-[(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCC(Oc1ccnc(C(=O)OC)c1)C2
InChIInChI=1S/C19H19NO5/c1-23-18(21)14-4-3-13-10-15(6-5-12(13)9-14)25-16-7-8-20-17(11-16)19(22)24-2/h3-4,7-9,11,15H,5-6,10H2,1-2H3
InChIKeyBGZYZURBXBQMDH-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.59
Rot. Bonds4

About methyl 4-[(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]pyridine-2-carboxylate

methyl 4-[(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]pyridine-2-carboxylate (PubChem CID 58055565) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is methyl 4-[(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]pyridine-2-carboxylate
PubChem CID58055565
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Namemethyl 4-[(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCC(Oc1ccnc(C(=O)OC)c1)C2
InChIInChI=1S/C19H19NO5/c1-23-18(21)14-4-3-13-10-15(6-5-12(13)9-14)25-16-7-8-20-17(11-16)19(22)24-2/h3-4,7-9,11,15H,5-6,10H2,1-2H3
InChIKeyBGZYZURBXBQMDH-UHFFFAOYSA-N
XLogP2.59
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]pyridine-2-carboxylate (CID 58055565) is methyl 4-[(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]pyridine-2-carboxylate is COC(=O)c1ccc2c(c1)CCC(Oc1ccnc(C(=O)OC)c1)C2.
What is the InChIKey of methyl 4-[(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]pyridine-2-carboxylate?
The InChIKey is BGZYZURBXBQMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-23-18(21)14-4-3-13-10-15(6-5-12(13)9-14)25-16-7-8-20-17(11-16)19(22)24-2/h3-4,7-9,11,15H,5-6,10H2,1-2H3.
What are the key properties of methyl 4-[(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]pyridine-2-carboxylate?
methyl 4-[(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]pyridine-2-carboxylate has a molecular weight of 341.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]pyridine-2-carboxylate is sourced from PubChem (CID 58055565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).