[2-[4-[[(E)-3-phenylprop-2-enoyl]oxymethyl]-2-pyridinyl]-4-pyridinyl]methyl (E)-3-phenylprop-2-enoate

C30H24N2O4 — CID 23251865

IUPAC[2-[4-[[(E)-3-phenylprop-2-enoyl]oxymethyl]-2-pyridinyl]-4-pyridinyl]methyl (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)OCc1ccnc(-c2cc(COC(=O)/C=C/c3ccccc3)ccn2)c1
InChIInChI=1S/C30H24N2O4/c33-29(13-11-23-7-3-1-4-8-23)35-21-25-15-17-31-27(19-25)28-20-26(16-18-32-28)22-36-30(34)14-12-24-9-5-2-6-10-24/h1-20H,21-22H2/b13-11+,14-12+
InChIKeySCRSLRZSVZQBSI-PHEQNACWSA-N
MW476.53 g/mol
LogP5.66
Rot. Bonds9

About [2-[4-[[(E)-3-phenylprop-2-enoyl]oxymethyl]-2-pyridinyl]-4-pyridinyl]methyl (E)-3-phenylprop-2-enoate

[2-[4-[[(E)-3-phenylprop-2-enoyl]oxymethyl]-2-pyridinyl]-4-pyridinyl]methyl (E)-3-phenylprop-2-enoate (PubChem CID 23251865) has the molecular formula C30H24N2O4 and a molecular weight of 476.53 g/mol. Its IUPAC name is [2-[4-[[(E)-3-phenylprop-2-enoyl]oxymethyl]-2-pyridinyl]-4-pyridinyl]methyl (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[2-[4-[[(E)-3-phenylprop-2-enoyl]oxymethyl]-2-pyridinyl]-4-pyridinyl]methyl (E)-3-phenylprop-2-enoate
PubChem CID23251865
Molecular FormulaC30H24N2O4
Molecular Weight476.53 g/mol
Exact Mass476.17
IUPAC Name[2-[4-[[(E)-3-phenylprop-2-enoyl]oxymethyl]-2-pyridinyl]-4-pyridinyl]methyl (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)OCc1ccnc(-c2cc(COC(=O)/C=C/c3ccccc3)ccn2)c1
InChIInChI=1S/C30H24N2O4/c33-29(13-11-23-7-3-1-4-8-23)35-21-25-15-17-31-27(19-25)28-20-26(16-18-32-28)22-36-30(34)14-12-24-9-5-2-6-10-24/h1-20H,21-22H2/b13-11+,14-12+
InChIKeySCRSLRZSVZQBSI-PHEQNACWSA-N
XLogP5.66
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-[4-[[(E)-3-phenylprop-2-enoyl]oxymethyl]-2-pyridinyl]-4-pyridinyl]methyl (E)-3-phenylprop-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

Related Compounds

[2-[4-[[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoyl]oxymethyl]-2-pyridinyl]-4-pyridinyl]methyl (E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoate
CID 11354226
[2-[4-[[(E)-3-(2,5-dimethyl-1,3-thiazol-4-yl)prop-2-enoyl]oxymethyl]-2-pyridinyl]-4-pyridinyl]methyl (E)-3-(2,5-dimethyl-1,3-thiazol-4-yl)prop-2-enoate
CID 11272779
acetonitrile;benzyl 3-phenylprop-2-enoate
CID 174428779
(2,3,4,5,6-pentadeuteriophenyl)methyl 3-phenylprop-2-enoate
CID 131878214
[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate
CID 59600821
2-(3-phenylprop-2-enoyloxy)acetic acid
CID 54392103
dibenzyl 2-(2-phenylethenyl)but-2-enedioate
CID 174770174
benzyl (E)-3-(4-acetylphenyl)prop-2-enoate
CID 132608073
benzyl (E)-3-(4-tert-butylphenyl)prop-2-enoate
CID 67918730
benzyl 3-[4-(trichloromethyl)phenyl]prop-2-enoate
CID 141299715
benzyl 3-(4-propan-2-ylphenyl)prop-2-enoate
CID 5044807
[2-[4-[(2-bromo-2-methylpropanoyl)oxymethyl]-2-pyridinyl]-4-pyridinyl]methyl 2-bromo-2-methylpropanoate
CID 101079210

Frequently Asked Questions

What is the IUPAC name of [2-[4-[[(E)-3-phenylprop-2-enoyl]oxymethyl]-2-pyridinyl]-4-pyridinyl]methyl (E)-3-phenylprop-2-enoate?
The IUPAC name of [2-[4-[[(E)-3-phenylprop-2-enoyl]oxymethyl]-2-pyridinyl]-4-pyridinyl]methyl (E)-3-phenylprop-2-enoate (CID 23251865) is [2-[4-[[(E)-3-phenylprop-2-enoyl]oxymethyl]-2-pyridinyl]-4-pyridinyl]methyl (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [2-[4-[[(E)-3-phenylprop-2-enoyl]oxymethyl]-2-pyridinyl]-4-pyridinyl]methyl (E)-3-phenylprop-2-enoate?
The canonical SMILES for [2-[4-[[(E)-3-phenylprop-2-enoyl]oxymethyl]-2-pyridinyl]-4-pyridinyl]methyl (E)-3-phenylprop-2-enoate is O=C(/C=C/c1ccccc1)OCc1ccnc(-c2cc(COC(=O)/C=C/c3ccccc3)ccn2)c1.
What is the InChIKey of [2-[4-[[(E)-3-phenylprop-2-enoyl]oxymethyl]-2-pyridinyl]-4-pyridinyl]methyl (E)-3-phenylprop-2-enoate?
The InChIKey is SCRSLRZSVZQBSI-PHEQNACWSA-N. The full InChI is InChI=1S/C30H24N2O4/c33-29(13-11-23-7-3-1-4-8-23)35-21-25-15-17-31-27(19-25)28-20-26(16-18-32-28)22-36-30(34)14-12-24-9-5-2-6-10-24/h1-20H,21-22H2/b13-11+,14-12+.
What are the key properties of [2-[4-[[(E)-3-phenylprop-2-enoyl]oxymethyl]-2-pyridinyl]-4-pyridinyl]methyl (E)-3-phenylprop-2-enoate?
[2-[4-[[(E)-3-phenylprop-2-enoyl]oxymethyl]-2-pyridinyl]-4-pyridinyl]methyl (E)-3-phenylprop-2-enoate has a molecular weight of 476.53 g/mol, XLogP of 5.66, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[[(E)-3-phenylprop-2-enoyl]oxymethyl]-2-pyridinyl]-4-pyridinyl]methyl (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 23251865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).