N-[3-(3,4-dichlorophenyl)propyl]-6-(3,5-difluorophenyl)-3-hydroxy-1-methyl-2-methylidenepyridine-4-carboxamide

C23H20Cl2F2N2O2 — CID 122691890

IUPACN-[3-(3,4-dichlorophenyl)propyl]-6-(3,5-difluorophenyl)-3-hydroxy-1-methyl-2-methylidenepyridine-4-carboxamide
SMILESC=C1C(O)=C(C(=O)NCCCc2ccc(Cl)c(Cl)c2)C=C(c2cc(F)cc(F)c2)N1C
InChIInChI=1S/C23H20Cl2F2N2O2/c1-13-22(30)18(12-21(29(13)2)15-9-16(26)11-17(27)10-15)23(31)28-7-3-4-14-5-6-19(24)20(25)8-14/h5-6,8-12,30H,1,3-4,7H2,2H3,(H,28,31)
InChIKeyQXQSUMOHSRSFNN-UHFFFAOYSA-N
MW465.33 g/mol
LogP5.63
Rot. Bonds6

About N-[3-(3,4-dichlorophenyl)propyl]-6-(3,5-difluorophenyl)-3-hydroxy-1-methyl-2-methylidenepyridine-4-carboxamide

N-[3-(3,4-dichlorophenyl)propyl]-6-(3,5-difluorophenyl)-3-hydroxy-1-methyl-2-methylidenepyridine-4-carboxamide (PubChem CID 122691890) has the molecular formula C23H20Cl2F2N2O2 and a molecular weight of 465.33 g/mol. Its IUPAC name is N-[3-(3,4-dichlorophenyl)propyl]-6-(3,5-difluorophenyl)-3-hydroxy-1-methyl-2-methylidenepyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dichlorophenyl)propyl]-6-(3,5-difluorophenyl)-3-hydroxy-1-methyl-2-methylidenepyridine-4-carboxamide
PubChem CID122691890
Molecular FormulaC23H20Cl2F2N2O2
Molecular Weight465.33 g/mol
Exact Mass464.09
IUPAC NameN-[3-(3,4-dichlorophenyl)propyl]-6-(3,5-difluorophenyl)-3-hydroxy-1-methyl-2-methylidenepyridine-4-carboxamide
SMILESC=C1C(O)=C(C(=O)NCCCc2ccc(Cl)c(Cl)c2)C=C(c2cc(F)cc(F)c2)N1C
InChIInChI=1S/C23H20Cl2F2N2O2/c1-13-22(30)18(12-21(29(13)2)15-9-16(26)11-17(27)10-15)23(31)28-7-3-4-14-5-6-19(24)20(25)8-14/h5-6,8-12,30H,1,3-4,7H2,2H3,(H,28,31)
InChIKeyQXQSUMOHSRSFNN-UHFFFAOYSA-N
XLogP5.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.33
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dichlorophenyl)propyl]-6-(3,5-difluorophenyl)-3-hydroxy-1-methyl-2-methylidenepyridine-4-carboxamide?
The IUPAC name of N-[3-(3,4-dichlorophenyl)propyl]-6-(3,5-difluorophenyl)-3-hydroxy-1-methyl-2-methylidenepyridine-4-carboxamide (CID 122691890) is N-[3-(3,4-dichlorophenyl)propyl]-6-(3,5-difluorophenyl)-3-hydroxy-1-methyl-2-methylidenepyridine-4-carboxamide.
What is the SMILES notation for N-[3-(3,4-dichlorophenyl)propyl]-6-(3,5-difluorophenyl)-3-hydroxy-1-methyl-2-methylidenepyridine-4-carboxamide?
The canonical SMILES for N-[3-(3,4-dichlorophenyl)propyl]-6-(3,5-difluorophenyl)-3-hydroxy-1-methyl-2-methylidenepyridine-4-carboxamide is C=C1C(O)=C(C(=O)NCCCc2ccc(Cl)c(Cl)c2)C=C(c2cc(F)cc(F)c2)N1C.
What is the InChIKey of N-[3-(3,4-dichlorophenyl)propyl]-6-(3,5-difluorophenyl)-3-hydroxy-1-methyl-2-methylidenepyridine-4-carboxamide?
The InChIKey is QXQSUMOHSRSFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2F2N2O2/c1-13-22(30)18(12-21(29(13)2)15-9-16(26)11-17(27)10-15)23(31)28-7-3-4-14-5-6-19(24)20(25)8-14/h5-6,8-12,30H,1,3-4,7H2,2H3,(H,28,31).
What are the key properties of N-[3-(3,4-dichlorophenyl)propyl]-6-(3,5-difluorophenyl)-3-hydroxy-1-methyl-2-methylidenepyridine-4-carboxamide?
N-[3-(3,4-dichlorophenyl)propyl]-6-(3,5-difluorophenyl)-3-hydroxy-1-methyl-2-methylidenepyridine-4-carboxamide has a molecular weight of 465.33 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dichlorophenyl)propyl]-6-(3,5-difluorophenyl)-3-hydroxy-1-methyl-2-methylidenepyridine-4-carboxamide is sourced from PubChem (CID 122691890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).