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

C28H31F2N3O2 — CID 16679393

IUPACN-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(=O)n(CCN2CCCCC2)c1
InChIInChI=1S/C28H31F2N3O2/c29-24-9-4-21(5-10-24)26(22-6-11-25(30)12-7-22)14-15-31-28(35)23-8-13-27(34)33(20-23)19-18-32-16-2-1-3-17-32/h4-13,20,26H,1-3,14-19H2,(H,31,35)
InChIKeyDMRVHEQVSQFLGC-UHFFFAOYSA-N
MW479.57 g/mol
LogP4.56
Rot. Bonds9

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

N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 16679393) has the molecular formula C28H31F2N3O2 and a molecular weight of 479.57 g/mol. Its IUPAC name is N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID16679393
Molecular FormulaC28H31F2N3O2
Molecular Weight479.57 g/mol
Exact Mass479.24
IUPAC NameN-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(=O)n(CCN2CCCCC2)c1
InChIInChI=1S/C28H31F2N3O2/c29-24-9-4-21(5-10-24)26(22-6-11-25(30)12-7-22)14-15-31-28(35)23-8-13-27(34)33(20-23)19-18-32-16-2-1-3-17-32/h4-13,20,26H,1-3,14-19H2,(H,31,35)
InChIKeyDMRVHEQVSQFLGC-UHFFFAOYSA-N
XLogP4.56
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.57
LogP ≤ 54.56
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-phenoxyethyl)pyridine-3-carboxamide
CID 16679482
6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxylic acid
CID 30056609
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200105
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200300
N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 38535028
N-cyclohexyl-1-[2-[1-(4-fluorophenyl)propyl-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 110246895
4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
1-(4-fluorobenzoyl)-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-6-carboxamide
CID 53160376
4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide
CID 29200089
N-[3,3-bis(4-fluorophenyl)propyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 58769000

Frequently Asked Questions

What is the IUPAC name of N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (CID 16679393) is N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(=O)n(CCN2CCCCC2)c1.
What is the InChIKey of N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is DMRVHEQVSQFLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F2N3O2/c29-24-9-4-21(5-10-24)26(22-6-11-25(30)12-7-22)14-15-31-28(35)23-8-13-27(34)33(20-23)19-18-32-16-2-1-3-17-32/h4-13,20,26H,1-3,14-19H2,(H,31,35).
What are the key properties of N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 479.57 g/mol, XLogP of 4.56, 9 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-piperidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 16679393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).