4-oxo-N,1,2,6-tetraphenylpyridine-3-carboxamide

C30H22N2O2 — CID 3042323

IUPAC4-oxo-N,1,2,6-tetraphenylpyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1c(-c2ccccc2)n(-c2ccccc2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C30H22N2O2/c33-27-21-26(22-13-5-1-6-14-22)32(25-19-11-4-12-20-25)29(23-15-7-2-8-16-23)28(27)30(34)31-24-17-9-3-10-18-24/h1-21H,(H,31,34)
InChIKeyFEYBKXCWYSNHPC-UHFFFAOYSA-N
MW442.52 g/mol
LogP6.42
Rot. Bonds5

About 4-oxo-N,1,2,6-tetraphenylpyridine-3-carboxamide

4-oxo-N,1,2,6-tetraphenylpyridine-3-carboxamide (PubChem CID 3042323) has the molecular formula C30H22N2O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 4-oxo-N,1,2,6-tetraphenylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N,1,2,6-tetraphenylpyridine-3-carboxamide
PubChem CID3042323
Molecular FormulaC30H22N2O2
Molecular Weight442.52 g/mol
Exact Mass442.17
IUPAC Name4-oxo-N,1,2,6-tetraphenylpyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1c(-c2ccccc2)n(-c2ccccc2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C30H22N2O2/c33-27-21-26(22-13-5-1-6-14-22)32(25-19-11-4-12-20-25)29(23-15-7-2-8-16-23)28(27)30(34)31-24-17-9-3-10-18-24/h1-21H,(H,31,34)
InChIKeyFEYBKXCWYSNHPC-UHFFFAOYSA-N
XLogP6.42
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N,1,2,6-tetraphenylpyridine-3-carboxamide?
The IUPAC name of 4-oxo-N,1,2,6-tetraphenylpyridine-3-carboxamide (CID 3042323) is 4-oxo-N,1,2,6-tetraphenylpyridine-3-carboxamide.
What is the SMILES notation for 4-oxo-N,1,2,6-tetraphenylpyridine-3-carboxamide?
The canonical SMILES for 4-oxo-N,1,2,6-tetraphenylpyridine-3-carboxamide is O=C(Nc1ccccc1)c1c(-c2ccccc2)n(-c2ccccc2)c(-c2ccccc2)cc1=O.
What is the InChIKey of 4-oxo-N,1,2,6-tetraphenylpyridine-3-carboxamide?
The InChIKey is FEYBKXCWYSNHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O2/c33-27-21-26(22-13-5-1-6-14-22)32(25-19-11-4-12-20-25)29(23-15-7-2-8-16-23)28(27)30(34)31-24-17-9-3-10-18-24/h1-21H,(H,31,34).
What are the key properties of 4-oxo-N,1,2,6-tetraphenylpyridine-3-carboxamide?
4-oxo-N,1,2,6-tetraphenylpyridine-3-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 6.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N,1,2,6-tetraphenylpyridine-3-carboxamide is sourced from PubChem (CID 3042323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).