5-O-ethyl 2-O-[(6-methoxynaphthalen-2-yl)methyl] 6-methylpyridine-2,5-dicarboxylate

C22H21NO5 — CID 55633038

IUPAC5-O-ethyl 2-O-[(6-methoxynaphthalen-2-yl)methyl] 6-methylpyridine-2,5-dicarboxylate
SMILESCCOC(=O)c1ccc(C(=O)OCc2ccc3cc(OC)ccc3c2)nc1C
InChIInChI=1S/C22H21NO5/c1-4-27-21(24)19-9-10-20(23-14(19)2)22(25)28-13-15-5-6-17-12-18(26-3)8-7-16(17)11-15/h5-12H,4,13H2,1-3H3
InChIKeyKBCMNUUUIRVUML-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.09
Rot. Bonds6

About 5-O-ethyl 2-O-[(6-methoxynaphthalen-2-yl)methyl] 6-methylpyridine-2,5-dicarboxylate

5-O-ethyl 2-O-[(6-methoxynaphthalen-2-yl)methyl] 6-methylpyridine-2,5-dicarboxylate (PubChem CID 55633038) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is 5-O-ethyl 2-O-[(6-methoxynaphthalen-2-yl)methyl] 6-methylpyridine-2,5-dicarboxylate.

Molecular Properties

Compound Name5-O-ethyl 2-O-[(6-methoxynaphthalen-2-yl)methyl] 6-methylpyridine-2,5-dicarboxylate
PubChem CID55633038
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name5-O-ethyl 2-O-[(6-methoxynaphthalen-2-yl)methyl] 6-methylpyridine-2,5-dicarboxylate
SMILESCCOC(=O)c1ccc(C(=O)OCc2ccc3cc(OC)ccc3c2)nc1C
InChIInChI=1S/C22H21NO5/c1-4-27-21(24)19-9-10-20(23-14(19)2)22(25)28-13-15-5-6-17-12-18(26-3)8-7-16(17)11-15/h5-12H,4,13H2,1-3H3
InChIKeyKBCMNUUUIRVUML-UHFFFAOYSA-N
XLogP4.09
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6-methoxynaphthalen-2-yl)methyl 6-methylpyrimidine-4-carboxylate
CID 146084300
ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053
ethyl 2-bromo-4-methoxybenzoate
CID 46311272
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate
CID 174563533
(6-methoxynaphthalen-2-yl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate
CID 55554775
diethyl 4-(methoxymethyl)benzene-1,2-dicarboxylate
CID 141473681
ethyl 2-(bromomethyl)-4-methoxybenzoate
CID 10333471
(4-methoxyphenyl)methyl 5-amino-2-methylbenzoate
CID 61310472
(3-methoxyphenyl)methyl 2,5-dimethylfuran-3-carboxylate
CID 78789323
(6-chloro-3-pyridinyl)methyl 6-methoxynaphthalene-2-carboxylate
CID 32810227
ethyl 2-bromo-5-methoxybenzoate
CID 43389585

Frequently Asked Questions

What is the IUPAC name of 5-O-ethyl 2-O-[(6-methoxynaphthalen-2-yl)methyl] 6-methylpyridine-2,5-dicarboxylate?
The IUPAC name of 5-O-ethyl 2-O-[(6-methoxynaphthalen-2-yl)methyl] 6-methylpyridine-2,5-dicarboxylate (CID 55633038) is 5-O-ethyl 2-O-[(6-methoxynaphthalen-2-yl)methyl] 6-methylpyridine-2,5-dicarboxylate.
What is the SMILES notation for 5-O-ethyl 2-O-[(6-methoxynaphthalen-2-yl)methyl] 6-methylpyridine-2,5-dicarboxylate?
The canonical SMILES for 5-O-ethyl 2-O-[(6-methoxynaphthalen-2-yl)methyl] 6-methylpyridine-2,5-dicarboxylate is CCOC(=O)c1ccc(C(=O)OCc2ccc3cc(OC)ccc3c2)nc1C.
What is the InChIKey of 5-O-ethyl 2-O-[(6-methoxynaphthalen-2-yl)methyl] 6-methylpyridine-2,5-dicarboxylate?
The InChIKey is KBCMNUUUIRVUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c1-4-27-21(24)19-9-10-20(23-14(19)2)22(25)28-13-15-5-6-17-12-18(26-3)8-7-16(17)11-15/h5-12H,4,13H2,1-3H3.
What are the key properties of 5-O-ethyl 2-O-[(6-methoxynaphthalen-2-yl)methyl] 6-methylpyridine-2,5-dicarboxylate?
5-O-ethyl 2-O-[(6-methoxynaphthalen-2-yl)methyl] 6-methylpyridine-2,5-dicarboxylate has a molecular weight of 379.41 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-ethyl 2-O-[(6-methoxynaphthalen-2-yl)methyl] 6-methylpyridine-2,5-dicarboxylate is sourced from PubChem (CID 55633038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).