N-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide

C24H21Cl2F3N2O3 — CID 89489641

IUPACN-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESCOc1c(C(=O)NCCCc2ccc(Cl)c(Cl)c2)cc(-c2cccc(C(F)(F)F)c2)n(C)c1=O
InChIInChI=1S/C24H21Cl2F3N2O3/c1-31-20(15-6-3-7-16(12-15)24(27,28)29)13-17(21(34-2)23(31)33)22(32)30-10-4-5-14-8-9-18(25)19(26)11-14/h3,6-9,11-13H,4-5,10H2,1-2H3,(H,30,32)
InChIKeyLOCBBELLDRGFMR-UHFFFAOYSA-N
MW513.34 g/mol
LogP5.75
Rot. Bonds7

About N-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide

N-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide (PubChem CID 89489641) has the molecular formula C24H21Cl2F3N2O3 and a molecular weight of 513.34 g/mol. Its IUPAC name is N-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
PubChem CID89489641
Molecular FormulaC24H21Cl2F3N2O3
Molecular Weight513.34 g/mol
Exact Mass512.09
IUPAC NameN-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESCOc1c(C(=O)NCCCc2ccc(Cl)c(Cl)c2)cc(-c2cccc(C(F)(F)F)c2)n(C)c1=O
InChIInChI=1S/C24H21Cl2F3N2O3/c1-31-20(15-6-3-7-16(12-15)24(27,28)29)13-17(21(34-2)23(31)33)22(32)30-10-4-5-14-8-9-18(25)19(26)11-14/h3,6-9,11-13H,4-5,10H2,1-2H3,(H,30,32)
InChIKeyLOCBBELLDRGFMR-UHFFFAOYSA-N
XLogP5.75
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.34
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,4-dichlorophenyl)propyl]-6-(4-fluorophenyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;bis(N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-6-(3-methylphenyl)-2-oxopyridine-4-carboxamide)
CID 158851843
N-[3-(3,4-dichlorophenyl)propyl]-6-[4-(dimethylcarbamoyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
CID 71547310
[4-[3-(3,4-dichlorophenyl)propylcarbamoyl]-1-methyl-2-oxoquinolin-3-yl] trifluoromethanesulfonate
CID 90355540
N-[3-(3,4-dichlorophenyl)propyl]-5-hydroxy-1,2,3-trimethyl-6-oxopyridine-4-carboxamide
CID 71547881
2-[3-methoxy-2-phenyl-4-(6-phenylhexylcarbamoyl)-6-[3-(trifluoromethyl)phenyl]phenoxy]acetic acid
CID 90748853
N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9120331
N-[3-(3,4-dichlorophenyl)propyl]-1-methyl-3-(methylamino)-2-oxoquinoline-4-carboxamide
CID 89491205
6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide
CID 89478174
methyl 3-[3-[[6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl]amino]propoxy]benzoate
CID 71547553
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 46096909
2-(4-chlorophenyl)-N-[2-[4-methyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]acetamide
CID 121078786
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 46104727

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide (CID 89489641) is N-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide is COc1c(C(=O)NCCCc2ccc(Cl)c(Cl)c2)cc(-c2cccc(C(F)(F)F)c2)n(C)c1=O.
What is the InChIKey of N-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is LOCBBELLDRGFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2F3N2O3/c1-31-20(15-6-3-7-16(12-15)24(27,28)29)13-17(21(34-2)23(31)33)22(32)30-10-4-5-14-8-9-18(25)19(26)11-14/h3,6-9,11-13H,4-5,10H2,1-2H3,(H,30,32).
What are the key properties of N-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
N-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 513.34 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 89489641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).