4-tert-butyl-N-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide

C24H25N3O2 — CID 1150803

IUPAC4-tert-butyl-N-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NCc3cccnc3)cc2)cc1
InChIInChI=1S/C24H25N3O2/c1-24(2,3)20-10-6-19(7-11-20)23(29)27-21-12-8-18(9-13-21)22(28)26-16-17-5-4-14-25-15-17/h4-15H,16H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyJOUZIJXDZGXIBF-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.56
Rot. Bonds5

About 4-tert-butyl-N-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide

4-tert-butyl-N-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide (PubChem CID 1150803) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
PubChem CID1150803
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name4-tert-butyl-N-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NCc3cccnc3)cc2)cc1
InChIInChI=1S/C24H25N3O2/c1-24(2,3)20-10-6-19(7-11-20)23(29)27-21-12-8-18(9-13-21)22(28)26-16-17-5-4-14-25-15-17/h4-15H,16H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyJOUZIJXDZGXIBF-UHFFFAOYSA-N
XLogP4.56
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide (CID 1150803) is 4-tert-butyl-N-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NCc3cccnc3)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide?
The InChIKey is JOUZIJXDZGXIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-24(2,3)20-10-6-19(7-11-20)23(29)27-21-12-8-18(9-13-21)22(28)26-16-17-5-4-14-25-15-17/h4-15H,16H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of 4-tert-butyl-N-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide?
4-tert-butyl-N-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide has a molecular weight of 387.48 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 1150803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).