5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-diphenylpyridine-3-carboxamide

C25H17ClN2O4 — CID 2491483

IUPAC5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-diphenylpyridine-3-carboxamide
SMILESO=C(c1cc(C(=O)Nc2ccccc2)c(=O)n(-c2ccccc2)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C25H17ClN2O4/c26-17-11-12-22(29)20(14-17)23(30)16-13-21(24(31)27-18-7-3-1-4-8-18)25(32)28(15-16)19-9-5-2-6-10-19/h1-15,29H,(H,27,31)
InChIKeyZCRPFHMMWJJYAO-UHFFFAOYSA-N
MW444.87 g/mol
LogP4.68
Rot. Bonds5

About 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-diphenylpyridine-3-carboxamide

5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-diphenylpyridine-3-carboxamide (PubChem CID 2491483) has the molecular formula C25H17ClN2O4 and a molecular weight of 444.87 g/mol. Its IUPAC name is 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-diphenylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-diphenylpyridine-3-carboxamide
PubChem CID2491483
Molecular FormulaC25H17ClN2O4
Molecular Weight444.87 g/mol
Exact Mass444.09
IUPAC Name5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-diphenylpyridine-3-carboxamide
SMILESO=C(c1cc(C(=O)Nc2ccccc2)c(=O)n(-c2ccccc2)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C25H17ClN2O4/c26-17-11-12-22(29)20(14-17)23(30)16-13-21(24(31)27-18-7-3-1-4-8-18)25(32)28(15-16)19-9-5-2-6-10-19/h1-15,29H,(H,27,31)
InChIKeyZCRPFHMMWJJYAO-UHFFFAOYSA-N
XLogP4.68
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.87
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-diphenylpyridine-3-carboxamide?
The IUPAC name of 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-diphenylpyridine-3-carboxamide (CID 2491483) is 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-diphenylpyridine-3-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-diphenylpyridine-3-carboxamide?
The canonical SMILES for 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-diphenylpyridine-3-carboxamide is O=C(c1cc(C(=O)Nc2ccccc2)c(=O)n(-c2ccccc2)c1)c1cc(Cl)ccc1O.
What is the InChIKey of 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-diphenylpyridine-3-carboxamide?
The InChIKey is ZCRPFHMMWJJYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN2O4/c26-17-11-12-22(29)20(14-17)23(30)16-13-21(24(31)27-18-7-3-1-4-8-18)25(32)28(15-16)19-9-5-2-6-10-19/h1-15,29H,(H,27,31).
What are the key properties of 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-diphenylpyridine-3-carboxamide?
5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-diphenylpyridine-3-carboxamide has a molecular weight of 444.87 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-diphenylpyridine-3-carboxamide is sourced from PubChem (CID 2491483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).