N-(4-tert-butylphenyl)-4-(3-cyano-2-pyridinyl)benzamide

C23H21N3O — CID 11164115

IUPACN-(4-tert-butylphenyl)-4-(3-cyano-2-pyridinyl)benzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3C#N)cc2)cc1
InChIInChI=1S/C23H21N3O/c1-23(2,3)19-10-12-20(13-11-19)26-22(27)17-8-6-16(7-9-17)21-18(15-24)5-4-14-25-21/h4-14H,1-3H3,(H,26,27)
InChIKeyLVPDLMHLHMXBST-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.17
Rot. Bonds3

About N-(4-tert-butylphenyl)-4-(3-cyano-2-pyridinyl)benzamide

N-(4-tert-butylphenyl)-4-(3-cyano-2-pyridinyl)benzamide (PubChem CID 11164115) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-(3-cyano-2-pyridinyl)benzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-(3-cyano-2-pyridinyl)benzamide
PubChem CID11164115
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC NameN-(4-tert-butylphenyl)-4-(3-cyano-2-pyridinyl)benzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3C#N)cc2)cc1
InChIInChI=1S/C23H21N3O/c1-23(2,3)19-10-12-20(13-11-19)26-22(27)17-8-6-16(7-9-17)21-18(15-24)5-4-14-25-21/h4-14H,1-3H3,(H,26,27)
InChIKeyLVPDLMHLHMXBST-UHFFFAOYSA-N
XLogP5.17
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-(3-cyano-2-pyridinyl)benzamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-(3-cyano-2-pyridinyl)benzamide (CID 11164115) is N-(4-tert-butylphenyl)-4-(3-cyano-2-pyridinyl)benzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-(3-cyano-2-pyridinyl)benzamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-(3-cyano-2-pyridinyl)benzamide is CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3C#N)cc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-(3-cyano-2-pyridinyl)benzamide?
The InChIKey is LVPDLMHLHMXBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-23(2,3)19-10-12-20(13-11-19)26-22(27)17-8-6-16(7-9-17)21-18(15-24)5-4-14-25-21/h4-14H,1-3H3,(H,26,27).
What are the key properties of N-(4-tert-butylphenyl)-4-(3-cyano-2-pyridinyl)benzamide?
N-(4-tert-butylphenyl)-4-(3-cyano-2-pyridinyl)benzamide has a molecular weight of 355.44 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-(3-cyano-2-pyridinyl)benzamide is sourced from PubChem (CID 11164115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).