N-(2-ethylphenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide

C26H22N2O2 — CID 66498057

IUPACN-(2-ethylphenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)[nH]c1=O
InChIInChI=1S/C26H22N2O2/c1-2-18-8-6-7-11-23(18)27-25(29)22-16-17-24(28-26(22)30)21-14-12-20(13-15-21)19-9-4-3-5-10-19/h3-17H,2H2,1H3,(H,27,29)(H,28,30)
InChIKeyRSUGGEKQYXNUJR-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.52
Rot. Bonds5

About N-(2-ethylphenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide

N-(2-ethylphenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide (PubChem CID 66498057) has the molecular formula C26H22N2O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
PubChem CID66498057
Molecular FormulaC26H22N2O2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC NameN-(2-ethylphenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)[nH]c1=O
InChIInChI=1S/C26H22N2O2/c1-2-18-8-6-7-11-23(18)27-25(29)22-16-17-24(28-26(22)30)21-14-12-20(13-15-21)19-9-4-3-5-10-19/h3-17H,2H2,1H3,(H,27,29)(H,28,30)
InChIKeyRSUGGEKQYXNUJR-UHFFFAOYSA-N
XLogP5.52
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide (CID 66498057) is N-(2-ethylphenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide is CCc1ccccc1NC(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)[nH]c1=O.
What is the InChIKey of N-(2-ethylphenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide?
The InChIKey is RSUGGEKQYXNUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O2/c1-2-18-8-6-7-11-23(18)27-25(29)22-16-17-24(28-26(22)30)21-14-12-20(13-15-21)19-9-4-3-5-10-19/h3-17H,2H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-(2-ethylphenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide?
N-(2-ethylphenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 5.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 66498057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).