4-tert-butyl-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide

C29H28N2O2 — CID 46087672

IUPAC4-tert-butyl-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide
SMILESCOc1ccc(-c2cccc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)n2)cc1
InChIInChI=1S/C29H28N2O2/c1-29(2,3)23-15-11-21(12-16-23)28(32)30-24-8-5-7-22(19-24)27-10-6-9-26(31-27)20-13-17-25(33-4)18-14-20/h5-19H,1-4H3,(H,30,32)
InChIKeyMBHYQLMXARUCKK-UHFFFAOYSA-N
MW436.56 g/mol
LogP6.97
Rot. Bonds5

About 4-tert-butyl-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide

4-tert-butyl-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide (PubChem CID 46087672) has the molecular formula C29H28N2O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide
PubChem CID46087672
Molecular FormulaC29H28N2O2
Molecular Weight436.56 g/mol
Exact Mass436.22
IUPAC Name4-tert-butyl-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide
SMILESCOc1ccc(-c2cccc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)n2)cc1
InChIInChI=1S/C29H28N2O2/c1-29(2,3)23-15-11-21(12-16-23)28(32)30-24-8-5-7-22(19-24)27-10-6-9-26(31-27)20-13-17-25(33-4)18-14-20/h5-19H,1-4H3,(H,30,32)
InChIKeyMBHYQLMXARUCKK-UHFFFAOYSA-N
XLogP6.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide (CID 46087672) is 4-tert-butyl-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide is COc1ccc(-c2cccc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)n2)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide?
The InChIKey is MBHYQLMXARUCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O2/c1-29(2,3)23-15-11-21(12-16-23)28(32)30-24-8-5-7-22(19-24)27-10-6-9-26(31-27)20-13-17-25(33-4)18-14-20/h5-19H,1-4H3,(H,30,32).
What are the key properties of 4-tert-butyl-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide?
4-tert-butyl-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide has a molecular weight of 436.56 g/mol, XLogP of 6.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide is sourced from PubChem (CID 46087672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).