N-[4,4-bis(4-fluorophenyl)butyl]pyridine-3-carboxamide;N-[4,4-bis(4-fluorophenyl)butyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]oxane-4-carboxamide;N-(3,3-diphenylpropyl)cyclohexanecarboxamide

C116H128F8N8O7 — CID 161416786

IUPACN-[4,4-bis(4-fluorophenyl)butyl]pyridine-3-carboxamide;N-[4,4-bis(4-fluorophenyl)butyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]oxane-4-carboxamide;N-(3,3-diphenylpropyl)cyclohexanecarboxamide
SMILESO=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)C1CCC(CO)CC1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)C1CCOCC1.O=C(NCCC(c1ccccc1)c1ccccc1)C1CCCCC1.O=C(NCCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(CCN2CCCC2)nc1.O=C(NCCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C28H31F2N3O.C23H27F2NO2.C22H20F2N2O.C22H27NO.C21H23F2NO2/c29-24-10-5-21(6-11-24)27(22-7-12-25(30)13-8-22)4-3-16-31-28(34)23-9-14-26(32-20-23)15-19-33-17-1-2-18-33;24-20-9-5-17(6-10-20)22(18-7-11-21(25)12-8-18)13-14-26-23(28)19-3-1-16(15-27)2-4-19;23-19-9-5-16(6-10-19)21(17-7-11-20(24)12-8-17)4-2-14-26-22(27)18-3-1-13-25-15-18;24-22(20-14-8-3-9-15-20)23-17-16-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19;22-18-5-1-15(2-6-18)20(16-3-7-19(23)8-4-16)9-12-24-21(25)17-10-13-26-14-11-17/h5-14,20,27H,1-4,15-19H2,(H,31,34);5-12,16,19,22,27H,1-4,13-15H2,(H,26,28);1,3,5-13,15,21H,2,4,14H2,(H,26,27);1-2,4-7,10-13,20-21H,3,8-9,14-17H2,(H,23,24);1-8,17,20H,9-14H2,(H,24,25)
InChIKeyVWENBNQVVHACOW-UHFFFAOYSA-N
MW1898.33 g/mol
LogP23.38
Rot. Bonds36

About N-[4,4-bis(4-fluorophenyl)butyl]pyridine-3-carboxamide;N-[4,4-bis(4-fluorophenyl)butyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]oxane-4-carboxamide;N-(3,3-diphenylpropyl)cyclohexanecarboxamide

N-[4,4-bis(4-fluorophenyl)butyl]pyridine-3-carboxamide;N-[4,4-bis(4-fluorophenyl)butyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]oxane-4-carboxamide;N-(3,3-diphenylpropyl)cyclohexanecarboxamide (PubChem CID 161416786) has the molecular formula C116H128F8N8O7 and a molecular weight of 1898.33 g/mol. Its IUPAC name is N-[4,4-bis(4-fluorophenyl)butyl]pyridine-3-carboxamide;N-[4,4-bis(4-fluorophenyl)butyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]oxane-4-carboxamide;N-(3,3-diphenylpropyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4,4-bis(4-fluorophenyl)butyl]pyridine-3-carboxamide;N-[4,4-bis(4-fluorophenyl)butyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]oxane-4-carboxamide;N-(3,3-diphenylpropyl)cyclohexanecarboxamide
PubChem CID161416786
Molecular FormulaC116H128F8N8O7
Molecular Weight1898.33 g/mol
Exact Mass1896.98
IUPAC NameN-[4,4-bis(4-fluorophenyl)butyl]pyridine-3-carboxamide;N-[4,4-bis(4-fluorophenyl)butyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]oxane-4-carboxamide;N-(3,3-diphenylpropyl)cyclohexanecarboxamide
SMILESO=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)C1CCC(CO)CC1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)C1CCOCC1.O=C(NCCC(c1ccccc1)c1ccccc1)C1CCCCC1.O=C(NCCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(CCN2CCCC2)nc1.O=C(NCCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C28H31F2N3O.C23H27F2NO2.C22H20F2N2O.C22H27NO.C21H23F2NO2/c29-24-10-5-21(6-11-24)27(22-7-12-25(30)13-8-22)4-3-16-31-28(34)23-9-14-26(32-20-23)15-19-33-17-1-2-18-33;24-20-9-5-17(6-10-20)22(18-7-11-21(25)12-8-18)13-14-26-23(28)19-3-1-16(15-27)2-4-19;23-19-9-5-16(6-10-19)21(17-7-11-20(24)12-8-17)4-2-14-26-22(27)18-3-1-13-25-15-18;24-22(20-14-8-3-9-15-20)23-17-16-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19;22-18-5-1-15(2-6-18)20(16-3-7-19(23)8-4-16)9-12-24-21(25)17-10-13-26-14-11-17/h5-14,20,27H,1-4,15-19H2,(H,31,34);5-12,16,19,22,27H,1-4,13-15H2,(H,26,28);1,3,5-13,15,21H,2,4,14H2,(H,26,27);1-2,4-7,10-13,20-21H,3,8-9,14-17H2,(H,23,24);1-8,17,20H,9-14H2,(H,24,25)
InChIKeyVWENBNQVVHACOW-UHFFFAOYSA-N
XLogP23.38
TPSA203.98 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds36
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001898.33
LogP ≤ 523.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[4,4-bis(4-fluorophenyl)butyl]pyridine-3-carboxamide;N-[4,4-bis(4-fluorophenyl)butyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]oxane-4-carboxamide;N-(3,3-diphenylpropyl)cyclohexanecarboxamide with MolForge

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Related Compounds

(2R,6R)-2,6-dibenzyl-4-hydroxy-N,N'-bis[(1S,2S)-2-(pyridine-3-carbonylamino)cyclohexyl]heptanediamide
CID 5479480
US10301306, Example 31
CID 146012362
6-[2-(5-Fluoro-pyridin-2-yl)-ethyl]-N-((1R,2R)-2-hydroxy-cyclohexyl)-5-(4-trifluoromethyl-phenyl)-nicotinamide
CID 24797619
6-(3-fluorophenyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 67268179
6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-(2-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 74318097
methyl 3-[[4-[(E)-6,6,6-trifluoro-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]hex-1-enyl]benzoyl]amino]propanoate;3-[[4-[(E)-6,6,6-trifluoro-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]hex-1-enyl]benzoyl]amino]propanoic acid
CID 87418498
N-cyclopropyl-3-[(1R)-1-[[4-[2-[2-fluoro-4-[[[3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzoyl]amino]methyl]phenyl]-4-pyridinyl]benzoyl]amino]ethyl]benzamide
CID 134475072
N-[3-[4-[5-[[5-[[3,3-difluoro-3-[4-(2-fluorophenyl)phenyl]propyl]carbamoyl]pyridin-2-yl]methyl]-2-fluorophenyl]phenyl]-2,2-difluoropropyl]-6-methylpyridine-3-carboxamide
CID 138721978
N-[2-[(4R)-4-(4-fluorophenyl)-1-hydroxy-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-7,8-dihydroquinoline-3-carboxamide
CID 144647329
N-[1-[[4-(2-fluoro-2-hydroxyethyl)phenyl]methyl]piperidin-4-yl]-6-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 145618961
2-(2,6-Difluorophenyl)-4-[[5-(4-hydroxybutanoyl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 157914038
N-[3,3-bis(4-fluorophenyl)propyl]-6-cyanopyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-methylpyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]pyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[3-(4-carbamoylphenyl)-3-(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 160765449

Frequently Asked Questions

What is the IUPAC name of N-[4,4-bis(4-fluorophenyl)butyl]pyridine-3-carboxamide;N-[4,4-bis(4-fluorophenyl)butyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]oxane-4-carboxamide;N-(3,3-diphenylpropyl)cyclohexanecarboxamide?
The IUPAC name of N-[4,4-bis(4-fluorophenyl)butyl]pyridine-3-carboxamide;N-[4,4-bis(4-fluorophenyl)butyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]oxane-4-carboxamide;N-(3,3-diphenylpropyl)cyclohexanecarboxamide (CID 161416786) is N-[4,4-bis(4-fluorophenyl)butyl]pyridine-3-carboxamide;N-[4,4-bis(4-fluorophenyl)butyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]oxane-4-carboxamide;N-(3,3-diphenylpropyl)cyclohexanecarboxamide.
What is the SMILES notation for N-[4,4-bis(4-fluorophenyl)butyl]pyridine-3-carboxamide;N-[4,4-bis(4-fluorophenyl)butyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]oxane-4-carboxamide;N-(3,3-diphenylpropyl)cyclohexanecarboxamide?
The canonical SMILES for N-[4,4-bis(4-fluorophenyl)butyl]pyridine-3-carboxamide;N-[4,4-bis(4-fluorophenyl)butyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]oxane-4-carboxamide;N-(3,3-diphenylpropyl)cyclohexanecarboxamide is O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)C1CCC(CO)CC1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)C1CCOCC1.O=C(NCCC(c1ccccc1)c1ccccc1)C1CCCCC1.O=C(NCCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(CCN2CCCC2)nc1.O=C(NCCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1cccnc1.
What is the InChIKey of N-[4,4-bis(4-fluorophenyl)butyl]pyridine-3-carboxamide;N-[4,4-bis(4-fluorophenyl)butyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]oxane-4-carboxamide;N-(3,3-diphenylpropyl)cyclohexanecarboxamide?
The InChIKey is VWENBNQVVHACOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F2N3O.C23H27F2NO2.C22H20F2N2O.C22H27NO.C21H23F2NO2/c29-24-10-5-21(6-11-24)27(22-7-12-25(30)13-8-22)4-3-16-31-28(34)23-9-14-26(32-20-23)15-19-33-17-1-2-18-33;24-20-9-5-17(6-10-20)22(18-7-11-21(25)12-8-18)13-14-26-23(28)19-3-1-16(15-27)2-4-19;23-19-9-5-16(6-10-19)21(17-7-11-20(24)12-8-17)4-2-14-26-22(27)18-3-1-13-25-15-18;24-22(20-14-8-3-9-15-20)23-17-16-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19;22-18-5-1-15(2-6-18)20(16-3-7-19(23)8-4-16)9-12-24-21(25)17-10-13-26-14-11-17/h5-14,20,27H,1-4,15-19H2,(H,31,34);5-12,16,19,22,27H,1-4,13-15H2,(H,26,28);1,3,5-13,15,21H,2,4,14H2,(H,26,27);1-2,4-7,10-13,20-21H,3,8-9,14-17H2,(H,23,24);1-8,17,20H,9-14H2,(H,24,25).
What are the key properties of N-[4,4-bis(4-fluorophenyl)butyl]pyridine-3-carboxamide;N-[4,4-bis(4-fluorophenyl)butyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]oxane-4-carboxamide;N-(3,3-diphenylpropyl)cyclohexanecarboxamide?
N-[4,4-bis(4-fluorophenyl)butyl]pyridine-3-carboxamide;N-[4,4-bis(4-fluorophenyl)butyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]oxane-4-carboxamide;N-(3,3-diphenylpropyl)cyclohexanecarboxamide has a molecular weight of 1898.33 g/mol, XLogP of 23.38, 36 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,4-bis(4-fluorophenyl)butyl]pyridine-3-carboxamide;N-[4,4-bis(4-fluorophenyl)butyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]oxane-4-carboxamide;N-(3,3-diphenylpropyl)cyclohexanecarboxamide is sourced from PubChem (CID 161416786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).