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

C24H16ClFN2O2 — CID 66498018

IUPACN-(3-chloro-4-fluorophenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(-c2ccc(-c3ccccc3)cc2)[nH]c1=O
InChIInChI=1S/C24H16ClFN2O2/c25-20-14-18(10-12-21(20)26)27-23(29)19-11-13-22(28-24(19)30)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H,27,29)(H,28,30)
InChIKeyAWZJRQPIOBWGPE-UHFFFAOYSA-N
MW418.86 g/mol
LogP5.75
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide (PubChem CID 66498018) has the molecular formula C24H16ClFN2O2 and a molecular weight of 418.86 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
PubChem CID66498018
Molecular FormulaC24H16ClFN2O2
Molecular Weight418.86 g/mol
Exact Mass418.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(-c2ccc(-c3ccccc3)cc2)[nH]c1=O
InChIInChI=1S/C24H16ClFN2O2/c25-20-14-18(10-12-21(20)26)27-23(29)19-11-13-22(28-24(19)30)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H,27,29)(H,28,30)
InChIKeyAWZJRQPIOBWGPE-UHFFFAOYSA-N
XLogP5.75
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.86
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide (CID 66498018) is N-(3-chloro-4-fluorophenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccc(-c2ccc(-c3ccccc3)cc2)[nH]c1=O.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide?
The InChIKey is AWZJRQPIOBWGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN2O2/c25-20-14-18(10-12-21(20)26)27-23(29)19-11-13-22(28-24(19)30)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H,27,29)(H,28,30).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide has a molecular weight of 418.86 g/mol, XLogP of 5.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 66498018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).