(2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide

C21H21FN2O4 — CID 59377867

IUPAC(2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
SMILESCOc1cc(C)c(NC(=O)N2C=CC(=O)C[C@H]2c2ccc(F)cc2)cc1OC
InChIInChI=1S/C21H21FN2O4/c1-13-10-19(27-2)20(28-3)12-17(13)23-21(26)24-9-8-16(25)11-18(24)14-4-6-15(22)7-5-14/h4-10,12,18H,11H2,1-3H3,(H,23,26)/t18-/m0/s1
InChIKeyFJBMDYNMVYCUOP-SFHVURJKSA-N
MW384.41 g/mol
LogP4.21
Rot. Bonds4

About (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide

(2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide (PubChem CID 59377867) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
PubChem CID59377867
Molecular FormulaC21H21FN2O4
Molecular Weight384.41 g/mol
Exact Mass384.15
IUPAC Name(2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
SMILESCOc1cc(C)c(NC(=O)N2C=CC(=O)C[C@H]2c2ccc(F)cc2)cc1OC
InChIInChI=1S/C21H21FN2O4/c1-13-10-19(27-2)20(28-3)12-17(13)23-21(26)24-9-8-16(25)11-18(24)14-4-6-15(22)7-5-14/h4-10,12,18H,11H2,1-3H3,(H,23,26)/t18-/m0/s1
InChIKeyFJBMDYNMVYCUOP-SFHVURJKSA-N
XLogP4.21
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
The IUPAC name of (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide (CID 59377867) is (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide.
What is the SMILES notation for (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
The canonical SMILES for (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide is COc1cc(C)c(NC(=O)N2C=CC(=O)C[C@H]2c2ccc(F)cc2)cc1OC.
What is the InChIKey of (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
The InChIKey is FJBMDYNMVYCUOP-SFHVURJKSA-N. The full InChI is InChI=1S/C21H21FN2O4/c1-13-10-19(27-2)20(28-3)12-17(13)23-21(26)24-9-8-16(25)11-18(24)14-4-6-15(22)7-5-14/h4-10,12,18H,11H2,1-3H3,(H,23,26)/t18-/m0/s1.
What are the key properties of (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
(2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide is sourced from PubChem (CID 59377867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).