4-methoxy-1-N-(4-phenylphenyl)-3-N-pyridin-3-ylbenzene-1,3-dicarboxamide

C26H21N3O3 — CID 122500865

IUPAC4-methoxy-1-N-(4-phenylphenyl)-3-N-pyridin-3-ylbenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C26H21N3O3/c1-32-24-14-11-20(16-23(24)26(31)29-22-8-5-15-27-17-22)25(30)28-21-12-9-19(10-13-21)18-6-3-2-4-7-18/h2-17H,1H3,(H,28,30)(H,29,31)
InChIKeyXGUGRDBWAGOPOM-UHFFFAOYSA-N
MW423.47 g/mol
LogP5.26
Rot. Bonds6

About 4-methoxy-1-N-(4-phenylphenyl)-3-N-pyridin-3-ylbenzene-1,3-dicarboxamide

4-methoxy-1-N-(4-phenylphenyl)-3-N-pyridin-3-ylbenzene-1,3-dicarboxamide (PubChem CID 122500865) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol. Its IUPAC name is 4-methoxy-1-N-(4-phenylphenyl)-3-N-pyridin-3-ylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name4-methoxy-1-N-(4-phenylphenyl)-3-N-pyridin-3-ylbenzene-1,3-dicarboxamide
PubChem CID122500865
Molecular FormulaC26H21N3O3
Molecular Weight423.47 g/mol
Exact Mass423.16
IUPAC Name4-methoxy-1-N-(4-phenylphenyl)-3-N-pyridin-3-ylbenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C26H21N3O3/c1-32-24-14-11-20(16-23(24)26(31)29-22-8-5-15-27-17-22)25(30)28-21-12-9-19(10-13-21)18-6-3-2-4-7-18/h2-17H,1H3,(H,28,30)(H,29,31)
InChIKeyXGUGRDBWAGOPOM-UHFFFAOYSA-N
XLogP5.26
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-methoxy-N-pyridin-3-ylbenzamide
CID 25343484
5-fluoro-2-methoxy-N-pyridin-3-ylbenzamide
CID 34947016
3-phenyl-N-pyridin-3-ylbenzamide
CID 110723041
3,4-dimethoxy-N-(5-phenyl-3-pyridinyl)benzamide
CID 110713719
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 71608233
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
3,4-dimethoxy-N-(4-pyridin-3-yloxyphenyl)benzamide
CID 90643074
4-bromo-3,5-dimethoxy-N-pyridin-3-ylbenzamide
CID 27165075
1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 71761515
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
2-methoxy-N-pyridin-3-ylpyridine-4-carboxamide
CID 84580431
2-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 92646313

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N-(4-phenylphenyl)-3-N-pyridin-3-ylbenzene-1,3-dicarboxamide?
The IUPAC name of 4-methoxy-1-N-(4-phenylphenyl)-3-N-pyridin-3-ylbenzene-1,3-dicarboxamide (CID 122500865) is 4-methoxy-1-N-(4-phenylphenyl)-3-N-pyridin-3-ylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 4-methoxy-1-N-(4-phenylphenyl)-3-N-pyridin-3-ylbenzene-1,3-dicarboxamide?
The canonical SMILES for 4-methoxy-1-N-(4-phenylphenyl)-3-N-pyridin-3-ylbenzene-1,3-dicarboxamide is COc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1C(=O)Nc1cccnc1.
What is the InChIKey of 4-methoxy-1-N-(4-phenylphenyl)-3-N-pyridin-3-ylbenzene-1,3-dicarboxamide?
The InChIKey is XGUGRDBWAGOPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3/c1-32-24-14-11-20(16-23(24)26(31)29-22-8-5-15-27-17-22)25(30)28-21-12-9-19(10-13-21)18-6-3-2-4-7-18/h2-17H,1H3,(H,28,30)(H,29,31).
What are the key properties of 4-methoxy-1-N-(4-phenylphenyl)-3-N-pyridin-3-ylbenzene-1,3-dicarboxamide?
4-methoxy-1-N-(4-phenylphenyl)-3-N-pyridin-3-ylbenzene-1,3-dicarboxamide has a molecular weight of 423.47 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N-(4-phenylphenyl)-3-N-pyridin-3-ylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 122500865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).