(4S)-4-(3-fluorophenyl)-N-[2-methyl-5-(6-methylpyridazin-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide

C24H21FN4O2 — CID 46832925

IUPAC(4S)-4-(3-fluorophenyl)-N-[2-methyl-5-(6-methylpyridazin-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCc1ccc(-c2ccc(C)c(NC(=O)C3=CNC(=O)C[C@H]3c3cccc(F)c3)c2)nn1
InChIInChI=1S/C24H21FN4O2/c1-14-6-8-17(21-9-7-15(2)28-29-21)11-22(14)27-24(31)20-13-26-23(30)12-19(20)16-4-3-5-18(25)10-16/h3-11,13,19H,12H2,1-2H3,(H,26,30)(H,27,31)/t19-/m0/s1
InChIKeyBJFVGUHSPYAOOR-IBGZPJMESA-N
MW416.46 g/mol
LogP4.03
Rot. Bonds4

About (4S)-4-(3-fluorophenyl)-N-[2-methyl-5-(6-methylpyridazin-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide

(4S)-4-(3-fluorophenyl)-N-[2-methyl-5-(6-methylpyridazin-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (PubChem CID 46832925) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is (4S)-4-(3-fluorophenyl)-N-[2-methyl-5-(6-methylpyridazin-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.

Molecular Properties

Compound Name(4S)-4-(3-fluorophenyl)-N-[2-methyl-5-(6-methylpyridazin-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
PubChem CID46832925
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name(4S)-4-(3-fluorophenyl)-N-[2-methyl-5-(6-methylpyridazin-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCc1ccc(-c2ccc(C)c(NC(=O)C3=CNC(=O)C[C@H]3c3cccc(F)c3)c2)nn1
InChIInChI=1S/C24H21FN4O2/c1-14-6-8-17(21-9-7-15(2)28-29-21)11-22(14)27-24(31)20-13-26-23(30)12-19(20)16-4-3-5-18(25)10-16/h3-11,13,19H,12H2,1-2H3,(H,26,30)(H,27,31)/t19-/m0/s1
InChIKeyBJFVGUHSPYAOOR-IBGZPJMESA-N
XLogP4.03
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-(3-fluorophenyl)-N-(2-methyl-5-propan-2-ylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 68606231
N-[5-(1,5-dimethylpyrazol-3-yl)-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 75215388
(4R)-N-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 59378023
N-(2-bromo-4,5-dimethoxyphenyl)-4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 59378005
4-(4-fluorophenyl)-N-(2-methyl-5-sulfamoylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 59378013
(4S)-4-(4-fluorophenyl)-N-[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-3-yl]-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 67277239
4-(4-fluorophenyl)-N-[2-methyl-5-(4-methylimidazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 75215659
(4S)-N-(2-bromo-3,5-dimethylphenyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 59378011
(4S)-4-(4-fluorophenyl)-2-oxo-N-[5-(1H-pyrazol-5-yl)-2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide
CID 67276541
(4S)-4-(4-fluorophenyl)-1-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 59377521
(4S)-4-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 59377491
5-[[4-fluoro-5-(2-hydroxypropoxy)-2-methylanilino]-hydroxymethyl]-4-(3-fluorophenyl)-3,4-dihydro-1H-pyridin-2-one
CID 91497716

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-fluorophenyl)-N-[2-methyl-5-(6-methylpyridazin-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The IUPAC name of (4S)-4-(3-fluorophenyl)-N-[2-methyl-5-(6-methylpyridazin-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (CID 46832925) is (4S)-4-(3-fluorophenyl)-N-[2-methyl-5-(6-methylpyridazin-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.
What is the SMILES notation for (4S)-4-(3-fluorophenyl)-N-[2-methyl-5-(6-methylpyridazin-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The canonical SMILES for (4S)-4-(3-fluorophenyl)-N-[2-methyl-5-(6-methylpyridazin-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is Cc1ccc(-c2ccc(C)c(NC(=O)C3=CNC(=O)C[C@H]3c3cccc(F)c3)c2)nn1.
What is the InChIKey of (4S)-4-(3-fluorophenyl)-N-[2-methyl-5-(6-methylpyridazin-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The InChIKey is BJFVGUHSPYAOOR-IBGZPJMESA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-14-6-8-17(21-9-7-15(2)28-29-21)11-22(14)27-24(31)20-13-26-23(30)12-19(20)16-4-3-5-18(25)10-16/h3-11,13,19H,12H2,1-2H3,(H,26,30)(H,27,31)/t19-/m0/s1.
What are the key properties of (4S)-4-(3-fluorophenyl)-N-[2-methyl-5-(6-methylpyridazin-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
(4S)-4-(3-fluorophenyl)-N-[2-methyl-5-(6-methylpyridazin-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-fluorophenyl)-N-[2-methyl-5-(6-methylpyridazin-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is sourced from PubChem (CID 46832925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).