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

C20H18BrFN2O4 — CID 59378005

IUPACN-(2-bromo-4,5-dimethoxyphenyl)-4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCOc1cc(Br)c(NC(=O)C2=CNC(=O)CC2c2cccc(F)c2)cc1OC
InChIInChI=1S/C20H18BrFN2O4/c1-27-17-8-15(21)16(9-18(17)28-2)24-20(26)14-10-23-19(25)7-13(14)11-4-3-5-12(22)6-11/h3-6,8-10,13H,7H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyIIOWXVRMSLPBEY-UHFFFAOYSA-N
MW449.28 g/mol
LogP3.73
Rot. Bonds5

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

N-(2-bromo-4,5-dimethoxyphenyl)-4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (PubChem CID 59378005) has the molecular formula C20H18BrFN2O4 and a molecular weight of 449.28 g/mol. Its IUPAC name is N-(2-bromo-4,5-dimethoxyphenyl)-4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4,5-dimethoxyphenyl)-4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
PubChem CID59378005
Molecular FormulaC20H18BrFN2O4
Molecular Weight449.28 g/mol
Exact Mass448.04
IUPAC NameN-(2-bromo-4,5-dimethoxyphenyl)-4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCOc1cc(Br)c(NC(=O)C2=CNC(=O)CC2c2cccc(F)c2)cc1OC
InChIInChI=1S/C20H18BrFN2O4/c1-27-17-8-15(21)16(9-18(17)28-2)24-20(26)14-10-23-19(25)7-13(14)11-4-3-5-12(22)6-11/h3-6,8-10,13H,7H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyIIOWXVRMSLPBEY-UHFFFAOYSA-N
XLogP3.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.28
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-bromo-4,5-dimethoxyphenyl)-4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(4R)-4-(3-fluorophenyl)-N-(2-methyl-5-propan-2-ylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 68606231
(4S)-4-(3-fluorophenyl)-N-[2-methyl-5-(6-methylpyridazin-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 46832925
(4S)-N-(2-bromo-3,5-dimethylphenyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 59378011
(4R)-N-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 59378023
methyl 2-[2-chloro-5-[[(4R)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonyl]amino]-4-methylphenoxy]acetate
CID 68607305
4-(4-fluorophenyl)-N-(2-methyl-5-sulfamoylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 59378013
N-(2-bromo-4,5-dimethoxyphenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 71886872
N-[5-(1,5-dimethylpyrazol-3-yl)-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 75215388
1-(2-bromo-4,5-dimethoxyphenyl)-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea
CID 60569463
N-(2-bromo-5-fluorophenyl)-2-fluoro-6-methoxybenzamide
CID 103756076
5-[[4-fluoro-5-(2-hydroxypropoxy)-2-methylanilino]-hydroxymethyl]-4-(3-fluorophenyl)-3,4-dihydro-1H-pyridin-2-one
CID 91497716
N-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxamide
CID 46831213

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,5-dimethoxyphenyl)-4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The IUPAC name of N-(2-bromo-4,5-dimethoxyphenyl)-4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (CID 59378005) is N-(2-bromo-4,5-dimethoxyphenyl)-4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.
What is the SMILES notation for N-(2-bromo-4,5-dimethoxyphenyl)-4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The canonical SMILES for N-(2-bromo-4,5-dimethoxyphenyl)-4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is COc1cc(Br)c(NC(=O)C2=CNC(=O)CC2c2cccc(F)c2)cc1OC.
What is the InChIKey of N-(2-bromo-4,5-dimethoxyphenyl)-4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The InChIKey is IIOWXVRMSLPBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrFN2O4/c1-27-17-8-15(21)16(9-18(17)28-2)24-20(26)14-10-23-19(25)7-13(14)11-4-3-5-12(22)6-11/h3-6,8-10,13H,7H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(2-bromo-4,5-dimethoxyphenyl)-4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
N-(2-bromo-4,5-dimethoxyphenyl)-4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide has a molecular weight of 449.28 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,5-dimethoxyphenyl)-4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is sourced from PubChem (CID 59378005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).