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

C24H25N3O2 — CID 11361213

IUPAC4-(3-acetamido-2-pyridinyl)-N-(4-tert-butylphenyl)benzamide
SMILESCC(=O)Nc1cccnc1-c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C24H25N3O2/c1-16(28)26-21-6-5-15-25-22(21)17-7-9-18(10-8-17)23(29)27-20-13-11-19(12-14-20)24(2,3)4/h5-15H,1-4H3,(H,26,28)(H,27,29)
InChIKeyUXMOTQQBJYIIBN-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.26
Rot. Bonds4

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

4-(3-acetamido-2-pyridinyl)-N-(4-tert-butylphenyl)benzamide (PubChem CID 11361213) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-(3-acetamido-2-pyridinyl)-N-(4-tert-butylphenyl)benzamide.

Molecular Properties

Compound Name4-(3-acetamido-2-pyridinyl)-N-(4-tert-butylphenyl)benzamide
PubChem CID11361213
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name4-(3-acetamido-2-pyridinyl)-N-(4-tert-butylphenyl)benzamide
SMILESCC(=O)Nc1cccnc1-c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C24H25N3O2/c1-16(28)26-21-6-5-15-25-22(21)17-7-9-18(10-8-17)23(29)27-20-13-11-19(12-14-20)24(2,3)4/h5-15H,1-4H3,(H,26,28)(H,27,29)
InChIKeyUXMOTQQBJYIIBN-UHFFFAOYSA-N
XLogP5.26
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamido-2-pyridinyl)-N-(4-tert-butylphenyl)benzamide?
The IUPAC name of 4-(3-acetamido-2-pyridinyl)-N-(4-tert-butylphenyl)benzamide (CID 11361213) is 4-(3-acetamido-2-pyridinyl)-N-(4-tert-butylphenyl)benzamide.
What is the SMILES notation for 4-(3-acetamido-2-pyridinyl)-N-(4-tert-butylphenyl)benzamide?
The canonical SMILES for 4-(3-acetamido-2-pyridinyl)-N-(4-tert-butylphenyl)benzamide is CC(=O)Nc1cccnc1-c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-(3-acetamido-2-pyridinyl)-N-(4-tert-butylphenyl)benzamide?
The InChIKey is UXMOTQQBJYIIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-16(28)26-21-6-5-15-25-22(21)17-7-9-18(10-8-17)23(29)27-20-13-11-19(12-14-20)24(2,3)4/h5-15H,1-4H3,(H,26,28)(H,27,29).
What are the key properties of 4-(3-acetamido-2-pyridinyl)-N-(4-tert-butylphenyl)benzamide?
4-(3-acetamido-2-pyridinyl)-N-(4-tert-butylphenyl)benzamide has a molecular weight of 387.48 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetamido-2-pyridinyl)-N-(4-tert-butylphenyl)benzamide is sourced from PubChem (CID 11361213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).