N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-phenoxyethyl)pyridine-3-carboxamide

C29H26F2N2O3 — CID 16679482

IUPACN-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-phenoxyethyl)pyridine-3-carboxamide
SMILESO=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(=O)n(CCOc2ccccc2)c1
InChIInChI=1S/C29H26F2N2O3/c30-24-11-6-21(7-12-24)27(22-8-13-25(31)14-9-22)16-17-32-29(35)23-10-15-28(34)33(20-23)18-19-36-26-4-2-1-3-5-26/h1-15,20,27H,16-19H2,(H,32,35)
InChIKeyRKXOCLQWMKWNFM-UHFFFAOYSA-N
MW488.53 g/mol
LogP5.16
Rot. Bonds10

About N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-phenoxyethyl)pyridine-3-carboxamide

N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-phenoxyethyl)pyridine-3-carboxamide (PubChem CID 16679482) has the molecular formula C29H26F2N2O3 and a molecular weight of 488.53 g/mol. Its IUPAC name is N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-phenoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-phenoxyethyl)pyridine-3-carboxamide
PubChem CID16679482
Molecular FormulaC29H26F2N2O3
Molecular Weight488.53 g/mol
Exact Mass488.19
IUPAC NameN-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-phenoxyethyl)pyridine-3-carboxamide
SMILESO=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(=O)n(CCOc2ccccc2)c1
InChIInChI=1S/C29H26F2N2O3/c30-24-11-6-21(7-12-24)27(22-8-13-25(31)14-9-22)16-17-32-29(35)23-10-15-28(34)33(20-23)18-19-36-26-4-2-1-3-5-26/h1-15,20,27H,16-19H2,(H,32,35)
InChIKeyRKXOCLQWMKWNFM-UHFFFAOYSA-N
XLogP5.16
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.53
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 16679393
1-(2-methoxyethyl)-6-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47062505
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
1-[2-(2-chlorophenoxy)ethyl]-N-[3-(methylamino)-3-oxopropyl]-6-oxopyridine-3-carboxamide
CID 146154164
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
CID 94528338
N-[3,3-bis(4-fluorophenyl)propyl]-2-phenylpyridine-4-carboxamide
CID 58768948
N-[1-(4-fluorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 43033670
N-[3,3-bis(4-fluorophenyl)propyl]isoquinoline-3-carboxamide
CID 45121525
N-[3,3-bis(4-fluorophenyl)propyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 58769000
1-(2-methoxyethyl)-N-[2-(2-methylphenyl)ethyl]-6-oxopyridine-3-carboxamide
CID 47059590
1-benzyl-N'-(4-fluorobenzoyl)-6-oxopyridine-3-carbohydrazide
CID 27370694
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide
CID 94330096

Frequently Asked Questions

What is the IUPAC name of N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-phenoxyethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-phenoxyethyl)pyridine-3-carboxamide (CID 16679482) is N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-phenoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-phenoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-phenoxyethyl)pyridine-3-carboxamide is O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(=O)n(CCOc2ccccc2)c1.
What is the InChIKey of N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-phenoxyethyl)pyridine-3-carboxamide?
The InChIKey is RKXOCLQWMKWNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F2N2O3/c30-24-11-6-21(7-12-24)27(22-8-13-25(31)14-9-22)16-17-32-29(35)23-10-15-28(34)33(20-23)18-19-36-26-4-2-1-3-5-26/h1-15,20,27H,16-19H2,(H,32,35).
What are the key properties of N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-phenoxyethyl)pyridine-3-carboxamide?
N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-phenoxyethyl)pyridine-3-carboxamide has a molecular weight of 488.53 g/mol, XLogP of 5.16, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-phenoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 16679482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).