ethyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate

C20H17NO2 — CID 162352568

IUPACethyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccncc1-c1ccc2ccccc2c1
InChIInChI=1S/C20H17NO2/c1-2-23-20(22)10-9-16-11-12-21-14-19(16)18-8-7-15-5-3-4-6-17(15)13-18/h3-14H,2H2,1H3/b10-9+
InChIKeyRKGJJTSZXIWJEW-MDZDMXLPSA-N
MW303.36 g/mol
LogP4.48
Rot. Bonds4

About ethyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate

ethyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate (PubChem CID 162352568) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is ethyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate
PubChem CID162352568
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Nameethyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccncc1-c1ccc2ccccc2c1
InChIInChI=1S/C20H17NO2/c1-2-23-20(22)10-9-16-11-12-21-14-19(16)18-8-7-15-5-3-4-6-17(15)13-18/h3-14H,2H2,1H3/b10-9+
InChIKeyRKGJJTSZXIWJEW-MDZDMXLPSA-N
XLogP4.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate (CID 162352568) is ethyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate is CCOC(=O)/C=C/c1ccncc1-c1ccc2ccccc2c1.
What is the InChIKey of ethyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate?
The InChIKey is RKGJJTSZXIWJEW-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H17NO2/c1-2-23-20(22)10-9-16-11-12-21-14-19(16)18-8-7-15-5-3-4-6-17(15)13-18/h3-14H,2H2,1H3/b10-9+.
What are the key properties of ethyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate?
ethyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate has a molecular weight of 303.36 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate is sourced from PubChem (CID 162352568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).