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

C115H103F12N13O6 — CID 160765449

IUPACN-[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
SMILESCc1ccc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)cn1.N#Cc1ccc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)cn1.NC(=O)c1ccc(C(CCNC(=O)c2ccc(CCN3CCCC3)nc2)c2ccc(F)cc2)cc1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(C(F)(F)F)nc1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccncc1
InChIInChI=1S/C28H31FN4O2.C22H17F5N2O.C22H17F2N3O.C22H20F2N2O.C21H18F2N2O/c29-24-10-7-21(8-11-24)26(20-3-5-22(6-4-20)27(30)34)13-15-31-28(35)23-9-12-25(32-19-23)14-18-33-16-1-2-17-33;23-17-6-1-14(2-7-17)19(15-3-8-18(24)9-4-15)11-12-28-21(30)16-5-10-20(29-13-16)22(25,26)27;23-18-6-1-15(2-7-18)21(16-3-8-19(24)9-4-16)11-12-26-22(28)17-5-10-20(13-25)27-14-17;1-15-2-3-18(14-26-15)22(27)25-13-12-21(16-4-8-19(23)9-5-16)17-6-10-20(24)11-7-17;22-18-5-1-15(2-6-18)20(16-3-7-19(23)8-4-16)11-14-25-21(26)17-9-12-24-13-10-17/h3-12,19,26H,1-2,13-18H2,(H2,30,34)(H,31,35);1-10,13,19H,11-12H2,(H,28,30);1-10,14,21H,11-12H2,(H,26,28);2-11,14,21H,12-13H2,1H3,(H,25,27);1-10,12-13,20H,11,14H2,(H,25,26)
InChIKeyRYPXWNKKNQWHGI-UHFFFAOYSA-N
MW1991.15 g/mol
LogP22.36
Rot. Bonds34

About 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

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 (PubChem CID 160765449) has the molecular formula C115H103F12N13O6 and a molecular weight of 1991.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID160765449
Molecular FormulaC115H103F12N13O6
Molecular Weight1991.15 g/mol
Exact Mass1989.80
IUPAC NameN-[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
SMILESCc1ccc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)cn1.N#Cc1ccc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)cn1.NC(=O)c1ccc(C(CCNC(=O)c2ccc(CCN3CCCC3)nc2)c2ccc(F)cc2)cc1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(C(F)(F)F)nc1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccncc1
InChIInChI=1S/C28H31FN4O2.C22H17F5N2O.C22H17F2N3O.C22H20F2N2O.C21H18F2N2O/c29-24-10-7-21(8-11-24)26(20-3-5-22(6-4-20)27(30)34)13-15-31-28(35)23-9-12-25(32-19-23)14-18-33-16-1-2-17-33;23-17-6-1-14(2-7-17)19(15-3-8-18(24)9-4-15)11-12-28-21(30)16-5-10-20(29-13-16)22(25,26)27;23-18-6-1-15(2-7-18)21(16-3-8-19(24)9-4-16)11-12-26-22(28)17-5-10-20(13-25)27-14-17;1-15-2-3-18(14-26-15)22(27)25-13-12-21(16-4-8-19(23)9-5-16)17-6-10-20(24)11-7-17;22-18-5-1-15(2-6-18)20(16-3-7-19(23)8-4-16)11-14-25-21(26)17-9-12-24-13-10-17/h3-12,19,26H,1-2,13-18H2,(H2,30,34)(H,31,35);1-10,13,19H,11-12H2,(H,28,30);1-10,14,21H,11-12H2,(H,26,28);2-11,14,21H,12-13H2,1H3,(H,25,27);1-10,12-13,20H,11,14H2,(H,25,26)
InChIKeyRYPXWNKKNQWHGI-UHFFFAOYSA-N
XLogP22.36
TPSA280.07 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds34
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001991.15
LogP ≤ 522.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Related Compounds

N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(fluoro(4-fluorophenyl)methyl) piperidine-1-carbonyl)picolinamide
CID 66710312
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(4-fluoro-4-fluorobenzoyl) piperidine-1-carbonyl)picolinamide
CID 58073566
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(2,4-difluorobenzoyl) piperidine-1-carbonyl)picolinamide
CID 66710298
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(4-fluorobenzoyl) piperidine-1-carbonyl)picolinamide
CID 66710317
N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[2-(4-fluorophenyl)propan-2-yl]piperazine-1-carbonyl]pyridine-2-carboxamide
CID 66710411
N-(1-(4-cyanobenzyl)piperidin-4-yl)-6-(4-(2,4-difluorobenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710841
(6-(4-(4-Cyanobenzylcarbamoyl) phenyl)pyridin-3-yl)(4-(4-fluorobenzyl)piperazin-1-yl)methanone
CID 56653761
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(3,4-difluorobenzoyl) piperidine-1-carbonyl)picolinamide
CID 66710359
N-(1-(4-cyano-3-fluorobenzyl)piperidin-4-yl)-6-(4-(4-(pyrrolidin-1-yl)benzoyl)piperidine-1-carbonyl)nicotinamide
CID 66710475
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(4-fluorobenzyl)piperidine-1-carbonyl)picolinamide
CID 66710624
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(3-(4-fluorobenzyl)piperidine-1-carbonyl)picolinamide
CID 66710625
US10301306, Example 9
CID 121417656

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)cn1.N#Cc1ccc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)cn1.NC(=O)c1ccc(C(CCNC(=O)c2ccc(CCN3CCCC3)nc2)c2ccc(F)cc2)cc1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(C(F)(F)F)nc1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccncc1.
What is the InChIKey of 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?
The InChIKey is RYPXWNKKNQWHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN4O2.C22H17F5N2O.C22H17F2N3O.C22H20F2N2O.C21H18F2N2O/c29-24-10-7-21(8-11-24)26(20-3-5-22(6-4-20)27(30)34)13-15-31-28(35)23-9-12-25(32-19-23)14-18-33-16-1-2-17-33;23-17-6-1-14(2-7-17)19(15-3-8-18(24)9-4-15)11-12-28-21(30)16-5-10-20(29-13-16)22(25,26)27;23-18-6-1-15(2-7-18)21(16-3-8-19(24)9-4-16)11-12-26-22(28)17-5-10-20(13-25)27-14-17;1-15-2-3-18(14-26-15)22(27)25-13-12-21(16-4-8-19(23)9-5-16)17-6-10-20(24)11-7-17;22-18-5-1-15(2-6-18)20(16-3-7-19(23)8-4-16)11-14-25-21(26)17-9-12-24-13-10-17/h3-12,19,26H,1-2,13-18H2,(H2,30,34)(H,31,35);1-10,13,19H,11-12H2,(H,28,30);1-10,14,21H,11-12H2,(H,26,28);2-11,14,21H,12-13H2,1H3,(H,25,27);1-10,12-13,20H,11,14H2,(H,25,26).
What are the key properties of 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?
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 has a molecular weight of 1991.15 g/mol, XLogP of 22.36, 34 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160765449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).