4-phenyl-N-[2-[(4-phenylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide

C38H30N4O2 — CID 3059946

IUPAC4-phenyl-N-[2-[(4-phenylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide
SMILESO=C(NC(c1ccncc1)C(NC(=O)c1ccc(-c2ccccc2)cc1)c1ccncc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C38H30N4O2/c43-37(33-15-11-29(12-16-33)27-7-3-1-4-8-27)41-35(31-19-23-39-24-20-31)36(32-21-25-40-26-22-32)42-38(44)34-17-13-30(14-18-34)28-9-5-2-6-10-28/h1-26,35-36H,(H,41,43)(H,42,44)
InChIKeyZEVAFYIAQBHUJH-UHFFFAOYSA-N
MW574.68 g/mol
LogP7.45
Rot. Bonds9

About 4-phenyl-N-[2-[(4-phenylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide

4-phenyl-N-[2-[(4-phenylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide (PubChem CID 3059946) has the molecular formula C38H30N4O2 and a molecular weight of 574.68 g/mol. Its IUPAC name is 4-phenyl-N-[2-[(4-phenylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[2-[(4-phenylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide
PubChem CID3059946
Molecular FormulaC38H30N4O2
Molecular Weight574.68 g/mol
Exact Mass574.24
IUPAC Name4-phenyl-N-[2-[(4-phenylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide
SMILESO=C(NC(c1ccncc1)C(NC(=O)c1ccc(-c2ccccc2)cc1)c1ccncc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C38H30N4O2/c43-37(33-15-11-29(12-16-33)27-7-3-1-4-8-27)41-35(31-19-23-39-24-20-31)36(32-21-25-40-26-22-32)42-38(44)34-17-13-30(14-18-34)28-9-5-2-6-10-28/h1-26,35-36H,(H,41,43)(H,42,44)
InChIKeyZEVAFYIAQBHUJH-UHFFFAOYSA-N
XLogP7.45
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.68
LogP ≤ 57.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[2-[(4-phenylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide?
The IUPAC name of 4-phenyl-N-[2-[(4-phenylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide (CID 3059946) is 4-phenyl-N-[2-[(4-phenylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide.
What is the SMILES notation for 4-phenyl-N-[2-[(4-phenylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide?
The canonical SMILES for 4-phenyl-N-[2-[(4-phenylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide is O=C(NC(c1ccncc1)C(NC(=O)c1ccc(-c2ccccc2)cc1)c1ccncc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-[2-[(4-phenylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide?
The InChIKey is ZEVAFYIAQBHUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N4O2/c43-37(33-15-11-29(12-16-33)27-7-3-1-4-8-27)41-35(31-19-23-39-24-20-31)36(32-21-25-40-26-22-32)42-38(44)34-17-13-30(14-18-34)28-9-5-2-6-10-28/h1-26,35-36H,(H,41,43)(H,42,44).
What are the key properties of 4-phenyl-N-[2-[(4-phenylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide?
4-phenyl-N-[2-[(4-phenylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide has a molecular weight of 574.68 g/mol, XLogP of 7.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[2-[(4-phenylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide is sourced from PubChem (CID 3059946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).