(4S)-N-(2-bromo-3,5-dimethylphenyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide

C20H18BrFN2O2 — CID 59378011

IUPAC(4S)-N-(2-bromo-3,5-dimethylphenyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCc1cc(C)c(Br)c(NC(=O)C2=CNC(=O)C[C@H]2c2ccc(F)cc2)c1
InChIInChI=1S/C20H18BrFN2O2/c1-11-7-12(2)19(21)17(8-11)24-20(26)16-10-23-18(25)9-15(16)13-3-5-14(22)6-4-13/h3-8,10,15H,9H2,1-2H3,(H,23,25)(H,24,26)/t15-/m0/s1
InChIKeyPMVUGSPFYAMVGD-HNNXBMFYSA-N
MW417.28 g/mol
LogP4.33
Rot. Bonds3

About (4S)-N-(2-bromo-3,5-dimethylphenyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide

(4S)-N-(2-bromo-3,5-dimethylphenyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (PubChem CID 59378011) has the molecular formula C20H18BrFN2O2 and a molecular weight of 417.28 g/mol. Its IUPAC name is (4S)-N-(2-bromo-3,5-dimethylphenyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.

Molecular Properties

Compound Name(4S)-N-(2-bromo-3,5-dimethylphenyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
PubChem CID59378011
Molecular FormulaC20H18BrFN2O2
Molecular Weight417.28 g/mol
Exact Mass416.05
IUPAC Name(4S)-N-(2-bromo-3,5-dimethylphenyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCc1cc(C)c(Br)c(NC(=O)C2=CNC(=O)C[C@H]2c2ccc(F)cc2)c1
InChIInChI=1S/C20H18BrFN2O2/c1-11-7-12(2)19(21)17(8-11)24-20(26)16-10-23-18(25)9-15(16)13-3-5-14(22)6-4-13/h3-8,10,15H,9H2,1-2H3,(H,23,25)(H,24,26)/t15-/m0/s1
InChIKeyPMVUGSPFYAMVGD-HNNXBMFYSA-N
XLogP4.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.28
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-N-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 59378023
4-(4-fluorophenyl)-N-(2-methyl-5-sulfamoylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 59378013
N-[5-(1,5-dimethylpyrazol-3-yl)-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 75215388
4-(4-fluorophenyl)-N-[2-methyl-5-(4-methylimidazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 75215659
methyl 2-[2-chloro-5-[[(4R)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonyl]amino]-4-methylphenoxy]acetate
CID 68607305
(4R)-4-(3-fluorophenyl)-N-(2-methyl-5-propan-2-ylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 68606231
(4S)-N-[4-chloro-5-[(2S)-2-hydroxy-3-methoxypropoxy]-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 68604347
N-(2-bromo-4,5-dimethoxyphenyl)-4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 59378005
N-[5-ethyl-1-(2-hydroxyethyl)indol-6-yl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 75214852
(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)-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
(4S)-4-(3-fluorophenyl)-N-[2-methyl-5-(6-methylpyridazin-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 46832925

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(2-bromo-3,5-dimethylphenyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The IUPAC name of (4S)-N-(2-bromo-3,5-dimethylphenyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (CID 59378011) is (4S)-N-(2-bromo-3,5-dimethylphenyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.
What is the SMILES notation for (4S)-N-(2-bromo-3,5-dimethylphenyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The canonical SMILES for (4S)-N-(2-bromo-3,5-dimethylphenyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is Cc1cc(C)c(Br)c(NC(=O)C2=CNC(=O)C[C@H]2c2ccc(F)cc2)c1.
What is the InChIKey of (4S)-N-(2-bromo-3,5-dimethylphenyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The InChIKey is PMVUGSPFYAMVGD-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H18BrFN2O2/c1-11-7-12(2)19(21)17(8-11)24-20(26)16-10-23-18(25)9-15(16)13-3-5-14(22)6-4-13/h3-8,10,15H,9H2,1-2H3,(H,23,25)(H,24,26)/t15-/m0/s1.
What are the key properties of (4S)-N-(2-bromo-3,5-dimethylphenyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
(4S)-N-(2-bromo-3,5-dimethylphenyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide has a molecular weight of 417.28 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(2-bromo-3,5-dimethylphenyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is sourced from PubChem (CID 59378011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).