1-benzyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxamide

C26H23N3O2 — CID 155531240

IUPAC1-benzyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxamide
SMILESNC(=O)C1=CN(Cc2ccccc2)C=C(C(N)=O)C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H23N3O2/c27-25(30)22-16-29(15-18-7-3-1-4-8-18)17-23(26(28)31)24(22)21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1-14,16-17,24H,15H2,(H2,27,30)(H2,28,31)
InChIKeyZKFAPHSPMXXHQN-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.69
Rot. Bonds6

About 1-benzyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxamide

1-benzyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxamide (PubChem CID 155531240) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-benzyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-benzyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxamide
PubChem CID155531240
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name1-benzyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxamide
SMILESNC(=O)C1=CN(Cc2ccccc2)C=C(C(N)=O)C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H23N3O2/c27-25(30)22-16-29(15-18-7-3-1-4-8-18)17-23(26(28)31)24(22)21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1-14,16-17,24H,15H2,(H2,27,30)(H2,28,31)
InChIKeyZKFAPHSPMXXHQN-UHFFFAOYSA-N
XLogP3.69
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxamide?
The IUPAC name of 1-benzyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxamide (CID 155531240) is 1-benzyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-benzyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxamide?
The canonical SMILES for 1-benzyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxamide is NC(=O)C1=CN(Cc2ccccc2)C=C(C(N)=O)C1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-benzyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxamide?
The InChIKey is ZKFAPHSPMXXHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c27-25(30)22-16-29(15-18-7-3-1-4-8-18)17-23(26(28)31)24(22)21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1-14,16-17,24H,15H2,(H2,27,30)(H2,28,31).
What are the key properties of 1-benzyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxamide?
1-benzyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxamide has a molecular weight of 409.49 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxamide is sourced from PubChem (CID 155531240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).