3-pyridin-3-ylpropyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate

C22H21NO3 — CID 166189696

IUPAC3-pyridin-3-ylpropyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
SMILESCOc1ccc2cc(/C=C/C(=O)OCCCc3cccnc3)ccc2c1
InChIInChI=1S/C22H21NO3/c1-25-21-10-9-19-14-17(6-8-20(19)15-21)7-11-22(24)26-13-3-5-18-4-2-12-23-16-18/h2,4,6-12,14-16H,3,5,13H2,1H3/b11-7+
InChIKeyCCDYJOSWLLXBNV-YRNVUSSQSA-N
MW347.41 g/mol
LogP4.43
Rot. Bonds7

About 3-pyridin-3-ylpropyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate

3-pyridin-3-ylpropyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate (PubChem CID 166189696) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is 3-pyridin-3-ylpropyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate.

Molecular Properties

Compound Name3-pyridin-3-ylpropyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
PubChem CID166189696
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name3-pyridin-3-ylpropyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
SMILESCOc1ccc2cc(/C=C/C(=O)OCCCc3cccnc3)ccc2c1
InChIInChI=1S/C22H21NO3/c1-25-21-10-9-19-14-17(6-8-20(19)15-21)7-11-22(24)26-13-3-5-18-4-2-12-23-16-18/h2,4,6-12,14-16H,3,5,13H2,1H3/b11-7+
InChIKeyCCDYJOSWLLXBNV-YRNVUSSQSA-N
XLogP4.43
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

butyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 10221471
(E)-3-(6-methoxynaphthalen-2-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 8854375
butyl 3-(4-methoxyphenyl)prop-2-enoate
CID 53421003
butyl (E)-3-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enoate
CID 56950890
butyl (E)-3-[3-(3-methoxyphenyl)phenyl]prop-2-enoate
CID 102391690
2-phenylethyl (E)-3-naphthalen-2-ylprop-2-enoate
CID 138558211
3-aminopropyl (E)-3-(4-methoxyphenyl)prop-2-enoate;hydrochloride
CID 175106666
(4-methylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 7740353
6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyhexyl 2-methylprop-2-enoate
CID 59608803
butyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate
CID 176901661
5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
CID 54263172
3-pyridin-3-ylpropyl hydrogen carbonate
CID 154111868

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-ylpropyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate?
The IUPAC name of 3-pyridin-3-ylpropyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate (CID 166189696) is 3-pyridin-3-ylpropyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate.
What is the SMILES notation for 3-pyridin-3-ylpropyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate?
The canonical SMILES for 3-pyridin-3-ylpropyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate is COc1ccc2cc(/C=C/C(=O)OCCCc3cccnc3)ccc2c1.
What is the InChIKey of 3-pyridin-3-ylpropyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate?
The InChIKey is CCDYJOSWLLXBNV-YRNVUSSQSA-N. The full InChI is InChI=1S/C22H21NO3/c1-25-21-10-9-19-14-17(6-8-20(19)15-21)7-11-22(24)26-13-3-5-18-4-2-12-23-16-18/h2,4,6-12,14-16H,3,5,13H2,1H3/b11-7+.
What are the key properties of 3-pyridin-3-ylpropyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate?
3-pyridin-3-ylpropyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate has a molecular weight of 347.41 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-ylpropyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate is sourced from PubChem (CID 166189696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).