ethyl 2-(4-methoxyanilino)-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate

C28H26N2O3 — CID 25110797

IUPACethyl 2-(4-methoxyanilino)-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C)cc2)cc(-c2ccccc2)nc1Nc1ccc(OC)cc1
InChIInChI=1S/C28H26N2O3/c1-4-33-28(31)26-24(20-12-10-19(2)11-13-20)18-25(21-8-6-5-7-9-21)30-27(26)29-22-14-16-23(32-3)17-15-22/h5-18H,4H2,1-3H3,(H,29,30)
InChIKeyKIRIVOYPMQGQKF-UHFFFAOYSA-N
MW438.53 g/mol
LogP6.65
Rot. Bonds7

About ethyl 2-(4-methoxyanilino)-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate

ethyl 2-(4-methoxyanilino)-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate (PubChem CID 25110797) has the molecular formula C28H26N2O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is ethyl 2-(4-methoxyanilino)-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyanilino)-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate
PubChem CID25110797
Molecular FormulaC28H26N2O3
Molecular Weight438.53 g/mol
Exact Mass438.19
IUPAC Nameethyl 2-(4-methoxyanilino)-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C)cc2)cc(-c2ccccc2)nc1Nc1ccc(OC)cc1
InChIInChI=1S/C28H26N2O3/c1-4-33-28(31)26-24(20-12-10-19(2)11-13-20)18-25(21-8-6-5-7-9-21)30-27(26)29-22-14-16-23(32-3)17-15-22/h5-18H,4H2,1-3H3,(H,29,30)
InChIKeyKIRIVOYPMQGQKF-UHFFFAOYSA-N
XLogP6.65
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyanilino)-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-(4-methoxyanilino)-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate (CID 25110797) is ethyl 2-(4-methoxyanilino)-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(4-methoxyanilino)-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(4-methoxyanilino)-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate is CCOC(=O)c1c(-c2ccc(C)cc2)cc(-c2ccccc2)nc1Nc1ccc(OC)cc1.
What is the InChIKey of ethyl 2-(4-methoxyanilino)-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate?
The InChIKey is KIRIVOYPMQGQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3/c1-4-33-28(31)26-24(20-12-10-19(2)11-13-20)18-25(21-8-6-5-7-9-21)30-27(26)29-22-14-16-23(32-3)17-15-22/h5-18H,4H2,1-3H3,(H,29,30).
What are the key properties of ethyl 2-(4-methoxyanilino)-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate?
ethyl 2-(4-methoxyanilino)-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate has a molecular weight of 438.53 g/mol, XLogP of 6.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyanilino)-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate is sourced from PubChem (CID 25110797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).