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

C19H15NO2 — CID 162352573

IUPACmethyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate
SMILESCOC(=O)/C=C/c1ccncc1-c1ccc2ccccc2c1
InChIInChI=1S/C19H15NO2/c1-22-19(21)9-8-15-10-11-20-13-18(15)17-7-6-14-4-2-3-5-16(14)12-17/h2-13H,1H3/b9-8+
InChIKeyCLTKUUYVEZUTQF-CMDGGOBGSA-N
MW289.33 g/mol
LogP4.09
Rot. Bonds3

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

methyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate (PubChem CID 162352573) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate
PubChem CID162352573
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Namemethyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate
SMILESCOC(=O)/C=C/c1ccncc1-c1ccc2ccccc2c1
InChIInChI=1S/C19H15NO2/c1-22-19(21)9-8-15-10-11-20-13-18(15)17-7-6-14-4-2-3-5-16(14)12-17/h2-13H,1H3/b9-8+
InChIKeyCLTKUUYVEZUTQF-CMDGGOBGSA-N
XLogP4.09
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.09
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 methyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate (CID 162352573) is methyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate is COC(=O)/C=C/c1ccncc1-c1ccc2ccccc2c1.
What is the InChIKey of methyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate?
The InChIKey is CLTKUUYVEZUTQF-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H15NO2/c1-22-19(21)9-8-15-10-11-20-13-18(15)17-7-6-14-4-2-3-5-16(14)12-17/h2-13H,1H3/b9-8+.
What are the key properties of methyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate?
methyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate has a molecular weight of 289.33 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate is sourced from PubChem (CID 162352573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).