(2E)-5,5-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)penta-2,4-dienamide

C30H26N2O3 — CID 14347434

IUPAC(2E)-5,5-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)penta-2,4-dienamide
SMILESCOc1ccc(C(=C/C=C/C(=O)Nc2ccc(-c3cccnc3)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H26N2O3/c1-34-27-16-10-23(11-17-27)29(24-12-18-28(35-2)19-13-24)6-3-7-30(33)32-26-14-8-22(9-15-26)25-5-4-20-31-21-25/h3-21H,1-2H3,(H,32,33)/b7-3+
InChIKeyAHPDSBLXHZAIHR-XVNBXDOJSA-N
MW462.55 g/mol
LogP6.39
Rot. Bonds8

About (2E)-5,5-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)penta-2,4-dienamide

(2E)-5,5-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)penta-2,4-dienamide (PubChem CID 14347434) has the molecular formula C30H26N2O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is (2E)-5,5-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-5,5-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)penta-2,4-dienamide
PubChem CID14347434
Molecular FormulaC30H26N2O3
Molecular Weight462.55 g/mol
Exact Mass462.19
IUPAC Name(2E)-5,5-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)penta-2,4-dienamide
SMILESCOc1ccc(C(=C/C=C/C(=O)Nc2ccc(-c3cccnc3)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H26N2O3/c1-34-27-16-10-23(11-17-27)29(24-12-18-28(35-2)19-13-24)6-3-7-30(33)32-26-14-8-22(9-15-26)25-5-4-20-31-21-25/h3-21H,1-2H3,(H,32,33)/b7-3+
InChIKeyAHPDSBLXHZAIHR-XVNBXDOJSA-N
XLogP6.39
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-5,5-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)penta-2,4-dienamide?
The IUPAC name of (2E)-5,5-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)penta-2,4-dienamide (CID 14347434) is (2E)-5,5-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)penta-2,4-dienamide.
What is the SMILES notation for (2E)-5,5-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)penta-2,4-dienamide?
The canonical SMILES for (2E)-5,5-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)penta-2,4-dienamide is COc1ccc(C(=C/C=C/C(=O)Nc2ccc(-c3cccnc3)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of (2E)-5,5-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)penta-2,4-dienamide?
The InChIKey is AHPDSBLXHZAIHR-XVNBXDOJSA-N. The full InChI is InChI=1S/C30H26N2O3/c1-34-27-16-10-23(11-17-27)29(24-12-18-28(35-2)19-13-24)6-3-7-30(33)32-26-14-8-22(9-15-26)25-5-4-20-31-21-25/h3-21H,1-2H3,(H,32,33)/b7-3+.
What are the key properties of (2E)-5,5-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)penta-2,4-dienamide?
(2E)-5,5-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)penta-2,4-dienamide has a molecular weight of 462.55 g/mol, XLogP of 6.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5,5-bis(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)penta-2,4-dienamide is sourced from PubChem (CID 14347434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).