N-([1,1'-biphenyl]-4-ylmethyl)-3-hydroxy-1,6-dimethyl-4-oxo-1,4-dihydropyridine-2-carboxamide

ID: ALA5275186

Chembl Id: CHEMBL5275186

Max Phase: Preclinical

Molecular Formula: C21H20N2O3

Molecular Weight: 348.40

Names and Identifiers

Canonical SMILES:  Cc1cc(=O)c(O)c(C(=O)NCc2ccc(-c3ccccc3)cc2)n1C

Standard InChI:  InChI=1S/C21H20N2O3/c1-14-12-18(24)20(25)19(23(14)2)21(26)22-13-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-12,25H,13H2,1-2H3,(H,22,26)

Standard InChI Key:  WRGAQJJZQRWVPY-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5275186

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 348.40

Molecular Weight (Monoisotopic): 348.1474

AlogP: 3.00

#Rotatable Bonds: 4

Polar Surface Area: 71.33

Molecular Species: NEUTRAL

HBA: 4

HBD: 2

#RO5 Violations: 0

HBA (Lipinski): 5

HBD (Lipinski): 2

#RO5 Violations (Lipinski): 0

CX Acidic pKa: 11.52

CX Basic pKa:

CX LogP: 3.03

CX LogD: 3.03

Aromatic Rings: 3

Heavy Atoms: 26

QED Weighted: 0.76

Np Likeness Score: -0.85

References

1. Arshad JZ, Hanif M..  (2022)  Hydroxypyrone derivatives in drug discovery: from chelation therapy to rational design of metalloenzyme inhibitors.,  13  (10.0): [PMID:36325396] [10.1039/d2md00175f]

Source

Source(1):

• Scientific Literature