2-pyridin-3-ylethyl 4-methoxy-3-pyridin-2-ylbenzoate

C20H18N2O3 — CID 71967557

IUPAC2-pyridin-3-ylethyl 4-methoxy-3-pyridin-2-ylbenzoate
SMILESCOc1ccc(C(=O)OCCc2cccnc2)cc1-c1ccccn1
InChIInChI=1S/C20H18N2O3/c1-24-19-8-7-16(13-17(19)18-6-2-3-11-22-18)20(23)25-12-9-15-5-4-10-21-14-15/h2-8,10-11,13-14H,9,12H2,1H3
InChIKeyAHYUTCFOPISSJO-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.55
Rot. Bonds6

About 2-pyridin-3-ylethyl 4-methoxy-3-pyridin-2-ylbenzoate

2-pyridin-3-ylethyl 4-methoxy-3-pyridin-2-ylbenzoate (PubChem CID 71967557) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-pyridin-3-ylethyl 4-methoxy-3-pyridin-2-ylbenzoate.

Molecular Properties

Compound Name2-pyridin-3-ylethyl 4-methoxy-3-pyridin-2-ylbenzoate
PubChem CID71967557
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name2-pyridin-3-ylethyl 4-methoxy-3-pyridin-2-ylbenzoate
SMILESCOc1ccc(C(=O)OCCc2cccnc2)cc1-c1ccccn1
InChIInChI=1S/C20H18N2O3/c1-24-19-8-7-16(13-17(19)18-6-2-3-11-22-18)20(23)25-12-9-15-5-4-10-21-14-15/h2-8,10-11,13-14H,9,12H2,1H3
InChIKeyAHYUTCFOPISSJO-UHFFFAOYSA-N
XLogP3.55
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methoxy-3-pyridin-2-ylbenzoate
CID 70840507
2-pyridin-3-ylethyl 3-amino-4-bromobenzoate
CID 63263115
ethyl 4-methoxy-3-(pyridin-3-ylmethoxy)benzoate
CID 91682546
pyridin-3-ylmethyl 3-methoxy-4-prop-2-enoxybenzoate
CID 78829849
prop-2-enyl 3-methoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682612
methyl 4-methoxy-3-pyridin-3-ylbenzoate
CID 46317451
2-pyridin-3-ylethyl 5-amino-2-methylpyridine-3-carboxylate
CID 55169977
4-methoxy-N-methyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 71909818
4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104782485
pyridine;2-pyridin-3-ylethyl acetate
CID 23213945
1-[3-methoxy-4-(methoxymethoxy)phenyl]-3-pyridin-3-ylpropane-1,3-dione
CID 134180858
3-phenylpropyl 4-hydroxy-3-methoxybenzoate
CID 11977890

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-ylethyl 4-methoxy-3-pyridin-2-ylbenzoate?
The IUPAC name of 2-pyridin-3-ylethyl 4-methoxy-3-pyridin-2-ylbenzoate (CID 71967557) is 2-pyridin-3-ylethyl 4-methoxy-3-pyridin-2-ylbenzoate.
What is the SMILES notation for 2-pyridin-3-ylethyl 4-methoxy-3-pyridin-2-ylbenzoate?
The canonical SMILES for 2-pyridin-3-ylethyl 4-methoxy-3-pyridin-2-ylbenzoate is COc1ccc(C(=O)OCCc2cccnc2)cc1-c1ccccn1.
What is the InChIKey of 2-pyridin-3-ylethyl 4-methoxy-3-pyridin-2-ylbenzoate?
The InChIKey is AHYUTCFOPISSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-24-19-8-7-16(13-17(19)18-6-2-3-11-22-18)20(23)25-12-9-15-5-4-10-21-14-15/h2-8,10-11,13-14H,9,12H2,1H3.
What are the key properties of 2-pyridin-3-ylethyl 4-methoxy-3-pyridin-2-ylbenzoate?
2-pyridin-3-ylethyl 4-methoxy-3-pyridin-2-ylbenzoate has a molecular weight of 334.38 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-ylethyl 4-methoxy-3-pyridin-2-ylbenzoate is sourced from PubChem (CID 71967557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).