ethyl (E)-3-[2-(3,5-dimethoxy-4-methylphenyl)-4-pyridinyl]prop-2-enoate

C19H21NO4 — CID 142201344

IUPACethyl (E)-3-[2-(3,5-dimethoxy-4-methylphenyl)-4-pyridinyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccnc(-c2cc(OC)c(C)c(OC)c2)c1
InChIInChI=1S/C19H21NO4/c1-5-24-19(21)7-6-14-8-9-20-16(10-14)15-11-17(22-3)13(2)18(12-15)23-4/h6-12H,5H2,1-4H3/b7-6+
InChIKeyIIDNTZILONUGPA-VOTSOKGWSA-N
MW327.38 g/mol
LogP3.65
Rot. Bonds6

About ethyl (E)-3-[2-(3,5-dimethoxy-4-methylphenyl)-4-pyridinyl]prop-2-enoate

ethyl (E)-3-[2-(3,5-dimethoxy-4-methylphenyl)-4-pyridinyl]prop-2-enoate (PubChem CID 142201344) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl (E)-3-[2-(3,5-dimethoxy-4-methylphenyl)-4-pyridinyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[2-(3,5-dimethoxy-4-methylphenyl)-4-pyridinyl]prop-2-enoate
PubChem CID142201344
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Nameethyl (E)-3-[2-(3,5-dimethoxy-4-methylphenyl)-4-pyridinyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccnc(-c2cc(OC)c(C)c(OC)c2)c1
InChIInChI=1S/C19H21NO4/c1-5-24-19(21)7-6-14-8-9-20-16(10-14)15-11-17(22-3)13(2)18(12-15)23-4/h6-12H,5H2,1-4H3/b7-6+
InChIKeyIIDNTZILONUGPA-VOTSOKGWSA-N
XLogP3.65
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[2-(3,5-dimethoxy-4-methylphenyl)-4-pyridinyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[2-(3,5-dimethoxy-4-methylphenyl)-4-pyridinyl]prop-2-enoate (CID 142201344) is ethyl (E)-3-[2-(3,5-dimethoxy-4-methylphenyl)-4-pyridinyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[2-(3,5-dimethoxy-4-methylphenyl)-4-pyridinyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[2-(3,5-dimethoxy-4-methylphenyl)-4-pyridinyl]prop-2-enoate is CCOC(=O)/C=C/c1ccnc(-c2cc(OC)c(C)c(OC)c2)c1.
What is the InChIKey of ethyl (E)-3-[2-(3,5-dimethoxy-4-methylphenyl)-4-pyridinyl]prop-2-enoate?
The InChIKey is IIDNTZILONUGPA-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H21NO4/c1-5-24-19(21)7-6-14-8-9-20-16(10-14)15-11-17(22-3)13(2)18(12-15)23-4/h6-12H,5H2,1-4H3/b7-6+.
What are the key properties of ethyl (E)-3-[2-(3,5-dimethoxy-4-methylphenyl)-4-pyridinyl]prop-2-enoate?
ethyl (E)-3-[2-(3,5-dimethoxy-4-methylphenyl)-4-pyridinyl]prop-2-enoate has a molecular weight of 327.38 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[2-(3,5-dimethoxy-4-methylphenyl)-4-pyridinyl]prop-2-enoate is sourced from PubChem (CID 142201344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).