methyl (E)-3-[2-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-phenyl-2-pyridinyl]-6-phenyl-4-pyridinyl]prop-2-enoate

C30H24N2O4 — CID 102441695

IUPACmethyl (E)-3-[2-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-phenyl-2-pyridinyl]-6-phenyl-4-pyridinyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1cc(-c2ccccc2)nc(-c2cc(/C=C/C(=O)OC)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C30H24N2O4/c1-35-29(33)15-13-21-17-25(23-9-5-3-6-10-23)31-27(19-21)28-20-22(14-16-30(34)36-2)18-26(32-28)24-11-7-4-8-12-24/h3-20H,1-2H3/b15-13+,16-14+
InChIKeyZOBYLDACWRPQRC-WXUKJITCSA-N
MW476.53 g/mol
LogP5.85
Rot. Bonds7

About methyl (E)-3-[2-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-phenyl-2-pyridinyl]-6-phenyl-4-pyridinyl]prop-2-enoate

methyl (E)-3-[2-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-phenyl-2-pyridinyl]-6-phenyl-4-pyridinyl]prop-2-enoate (PubChem CID 102441695) has the molecular formula C30H24N2O4 and a molecular weight of 476.53 g/mol. Its IUPAC name is methyl (E)-3-[2-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-phenyl-2-pyridinyl]-6-phenyl-4-pyridinyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[2-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-phenyl-2-pyridinyl]-6-phenyl-4-pyridinyl]prop-2-enoate
PubChem CID102441695
Molecular FormulaC30H24N2O4
Molecular Weight476.53 g/mol
Exact Mass476.17
IUPAC Namemethyl (E)-3-[2-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-phenyl-2-pyridinyl]-6-phenyl-4-pyridinyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1cc(-c2ccccc2)nc(-c2cc(/C=C/C(=O)OC)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C30H24N2O4/c1-35-29(33)15-13-21-17-25(23-9-5-3-6-10-23)31-27(19-21)28-20-22(14-16-30(34)36-2)18-26(32-28)24-11-7-4-8-12-24/h3-20H,1-2H3/b15-13+,16-14+
InChIKeyZOBYLDACWRPQRC-WXUKJITCSA-N
XLogP5.85
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl (E)-3-[2-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-phenyl-2-pyridinyl]-6-phenyl-4-pyridinyl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[2-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-phenyl-2-pyridinyl]-6-phenyl-4-pyridinyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[2-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-phenyl-2-pyridinyl]-6-phenyl-4-pyridinyl]prop-2-enoate (CID 102441695) is methyl (E)-3-[2-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-phenyl-2-pyridinyl]-6-phenyl-4-pyridinyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[2-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-phenyl-2-pyridinyl]-6-phenyl-4-pyridinyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[2-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-phenyl-2-pyridinyl]-6-phenyl-4-pyridinyl]prop-2-enoate is COC(=O)/C=C/c1cc(-c2ccccc2)nc(-c2cc(/C=C/C(=O)OC)cc(-c3ccccc3)n2)c1.
What is the InChIKey of methyl (E)-3-[2-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-phenyl-2-pyridinyl]-6-phenyl-4-pyridinyl]prop-2-enoate?
The InChIKey is ZOBYLDACWRPQRC-WXUKJITCSA-N. The full InChI is InChI=1S/C30H24N2O4/c1-35-29(33)15-13-21-17-25(23-9-5-3-6-10-23)31-27(19-21)28-20-22(14-16-30(34)36-2)18-26(32-28)24-11-7-4-8-12-24/h3-20H,1-2H3/b15-13+,16-14+.
What are the key properties of methyl (E)-3-[2-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-phenyl-2-pyridinyl]-6-phenyl-4-pyridinyl]prop-2-enoate?
methyl (E)-3-[2-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-phenyl-2-pyridinyl]-6-phenyl-4-pyridinyl]prop-2-enoate has a molecular weight of 476.53 g/mol, XLogP of 5.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[2-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-phenyl-2-pyridinyl]-6-phenyl-4-pyridinyl]prop-2-enoate is sourced from PubChem (CID 102441695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).