6-tert-butyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide

C21H28N2O2 — CID 71460655

IUPAC6-tert-butyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide
SMILESCCCCCn1cc(C(=O)Nc2ccccc2)c(=O)cc1C(C)(C)C
InChIInChI=1S/C21H28N2O2/c1-5-6-10-13-23-15-17(18(24)14-19(23)21(2,3)4)20(25)22-16-11-8-7-9-12-16/h7-9,11-12,14-15H,5-6,10,13H2,1-4H3,(H,22,25)
InChIKeyQAILTYMAZIQAFM-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.59
Rot. Bonds6

About 6-tert-butyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide

6-tert-butyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide (PubChem CID 71460655) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 6-tert-butyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide
PubChem CID71460655
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name6-tert-butyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide
SMILESCCCCCn1cc(C(=O)Nc2ccccc2)c(=O)cc1C(C)(C)C
InChIInChI=1S/C21H28N2O2/c1-5-6-10-13-23-15-17(18(24)14-19(23)21(2,3)4)20(25)22-16-11-8-7-9-12-16/h7-9,11-12,14-15H,5-6,10,13H2,1-4H3,(H,22,25)
InChIKeyQAILTYMAZIQAFM-UHFFFAOYSA-N
XLogP4.59
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of 6-tert-butyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide (CID 71460655) is 6-tert-butyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 6-tert-butyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 6-tert-butyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide is CCCCCn1cc(C(=O)Nc2ccccc2)c(=O)cc1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide?
The InChIKey is QAILTYMAZIQAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-5-6-10-13-23-15-17(18(24)14-19(23)21(2,3)4)20(25)22-16-11-8-7-9-12-16/h7-9,11-12,14-15H,5-6,10,13H2,1-4H3,(H,22,25).
What are the key properties of 6-tert-butyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide?
6-tert-butyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 71460655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).