N-[3,3-bis(4-fluorophenyl)propyl]-2-methoxypyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-methoxypyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide

C119H115F13N14O8 — CID 160925015

IUPACN-[3,3-bis(4-fluorophenyl)propyl]-2-methoxypyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-methoxypyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)NCCC(c3ccc(F)cc3)c3ccc(F)cc3)ccn2)CC1.CN1CCN(c2ccc(C(=O)NCCC(c3ccc(F)cc3)c3ccc(F)cc3)cn2)CC1.COc1cc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)ccn1.COc1ccc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)cn1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/2C26H28F2N4O.C23H19F5N2O2.2C22H20F2N2O2/c1-31-14-16-32(17-15-31)25-11-6-21(18-30-25)26(33)29-13-12-24(19-2-7-22(27)8-3-19)20-4-9-23(28)10-5-20;1-31-14-16-32(17-15-31)25-18-21(10-12-29-25)26(33)30-13-11-24(19-2-6-22(27)7-3-19)20-4-8-23(28)9-5-20;24-18-5-1-15(2-6-18)20(16-3-7-19(25)8-4-16)10-12-30-22(31)17-9-11-29-21(13-17)32-14-23(26,27)28;1-28-21-11-6-17(14-26-21)22(27)25-13-12-20(15-2-7-18(23)8-3-15)16-4-9-19(24)10-5-16;1-28-21-14-17(10-12-25-21)22(27)26-13-11-20(15-2-6-18(23)7-3-15)16-4-8-19(24)9-5-16/h2-11,18,24H,12-17H2,1H3,(H,29,33);2-10,12,18,24H,11,13-17H2,1H3,(H,30,33);1-9,11,13,20H,10,12,14H2,(H,30,31);2-11,14,20H,12-13H2,1H3,(H,25,27);2-10,12,14,20H,11,13H2,1H3,(H,26,27)
InChIKeySSNHOVRSFWCUHZ-UHFFFAOYSA-N
MW2116.29 g/mol
LogP22.02
Rot. Bonds36

About N-[3,3-bis(4-fluorophenyl)propyl]-2-methoxypyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-methoxypyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide

N-[3,3-bis(4-fluorophenyl)propyl]-2-methoxypyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-methoxypyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide (PubChem CID 160925015) has the molecular formula C119H115F13N14O8 and a molecular weight of 2116.29 g/mol. Its IUPAC name is N-[3,3-bis(4-fluorophenyl)propyl]-2-methoxypyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-methoxypyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3,3-bis(4-fluorophenyl)propyl]-2-methoxypyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-methoxypyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide
PubChem CID160925015
Molecular FormulaC119H115F13N14O8
Molecular Weight2116.29 g/mol
Exact Mass2114.88
IUPAC NameN-[3,3-bis(4-fluorophenyl)propyl]-2-methoxypyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-methoxypyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)NCCC(c3ccc(F)cc3)c3ccc(F)cc3)ccn2)CC1.CN1CCN(c2ccc(C(=O)NCCC(c3ccc(F)cc3)c3ccc(F)cc3)cn2)CC1.COc1cc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)ccn1.COc1ccc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)cn1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/2C26H28F2N4O.C23H19F5N2O2.2C22H20F2N2O2/c1-31-14-16-32(17-15-31)25-11-6-21(18-30-25)26(33)29-13-12-24(19-2-7-22(27)8-3-19)20-4-9-23(28)10-5-20;1-31-14-16-32(17-15-31)25-18-21(10-12-29-25)26(33)30-13-11-24(19-2-6-22(27)7-3-19)20-4-8-23(28)9-5-20;24-18-5-1-15(2-6-18)20(16-3-7-19(25)8-4-16)10-12-30-22(31)17-9-11-29-21(13-17)32-14-23(26,27)28;1-28-21-11-6-17(14-26-21)22(27)25-13-12-20(15-2-7-18(23)8-3-15)16-4-9-19(24)10-5-16;1-28-21-14-17(10-12-25-21)22(27)26-13-11-20(15-2-6-18(23)7-3-15)16-4-8-19(24)9-5-16/h2-11,18,24H,12-17H2,1H3,(H,29,33);2-10,12,18,24H,11,13-17H2,1H3,(H,30,33);1-9,11,13,20H,10,12,14H2,(H,30,31);2-11,14,20H,12-13H2,1H3,(H,25,27);2-10,12,14,20H,11,13H2,1H3,(H,26,27)
InChIKeySSNHOVRSFWCUHZ-UHFFFAOYSA-N
XLogP22.02
TPSA250.60 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds36
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002116.29
LogP ≤ 522.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze N-[3,3-bis(4-fluorophenyl)propyl]-2-methoxypyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-methoxypyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide with MolForge

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Related Compounds

N-(5-(4-(4-fluorobenzyl)piperazine-1-carbonyl)pyridin-2-yl)-6-(4-fluorophenoxy) nicotinamide
CID 66710821
2-({2-[3-(1-Methyl-piperidin-4-yl)-propoxy]-pyridin-4-ylmethyl}-amino)-N-(4-trifluoromethyl-phenyl)-nicotinamide
CID 22249269
N-(3-trifluoromethylphenyl)-2-({2-[2-(1-methyl-piperidin-4-yl)-ethoxy]-pyridin-4-ylmethyl}-amino)-nicotinamide
CID 22249312
N-[3-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]-2-[[2-(1-piperidin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide
CID 22249337
2-({2-[3-(1-Methyl-piperidin-4-yl)-propoxy]-pyridin-4-ylmethyl}-amino)-N-(4-pentafluoroethyl-phenyl)-nicotinamide
CID 22249388
2-[[2-[3-(1-methylpiperidin-4-yl)propoxy]pyridin-4-yl]methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 22249424
N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]-2-[[2-(2,2,2-trifluoroethoxy)pyridin-4-yl]methylamino]pyridine-3-carboxamide
CID 22498974
2-{[2-(1-Methyl-piperidin-4-ylmethoxy)-pyridin-4-ylmethyl]-amino}-N-(4-trifluoromethyl-phenyl)-nicotinamide
CID 53628769
2-{[2-(1-Methyl-piperidin-4-ylmethoxy)-pyridin-4-ylmethyl]-amino}-N-(4-pentafluoroethyl-phenyl)-nicotinamide
CID 53628777
2-{[2-(1-Methyl-piperidin-4-ylmethoxy)-pyridin-4-ylmethyl]-amino}-N-[3-(1-methyl-piperidin-4-yl)-5-trifluoromethyl-phenyl]-nicotinamide
CID 53628779
2-[[2-[(1-methylpiperidin-4-yl)methoxy]pyridin-4-yl]methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 66688555
2-[[2-[(1-methylpiperidin-4-yl)methoxy]pyridin-3-yl]methylamino]-N-[3-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 69711941

Frequently Asked Questions

What is the IUPAC name of N-[3,3-bis(4-fluorophenyl)propyl]-2-methoxypyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-methoxypyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide?
The IUPAC name of N-[3,3-bis(4-fluorophenyl)propyl]-2-methoxypyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-methoxypyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide (CID 160925015) is N-[3,3-bis(4-fluorophenyl)propyl]-2-methoxypyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-methoxypyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide.
What is the SMILES notation for N-[3,3-bis(4-fluorophenyl)propyl]-2-methoxypyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-methoxypyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide?
The canonical SMILES for N-[3,3-bis(4-fluorophenyl)propyl]-2-methoxypyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-methoxypyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide is CN1CCN(c2cc(C(=O)NCCC(c3ccc(F)cc3)c3ccc(F)cc3)ccn2)CC1.CN1CCN(c2ccc(C(=O)NCCC(c3ccc(F)cc3)c3ccc(F)cc3)cn2)CC1.COc1cc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)ccn1.COc1ccc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)cn1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccnc(OCC(F)(F)F)c1.
What is the InChIKey of N-[3,3-bis(4-fluorophenyl)propyl]-2-methoxypyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-methoxypyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide?
The InChIKey is SSNHOVRSFWCUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H28F2N4O.C23H19F5N2O2.2C22H20F2N2O2/c1-31-14-16-32(17-15-31)25-11-6-21(18-30-25)26(33)29-13-12-24(19-2-7-22(27)8-3-19)20-4-9-23(28)10-5-20;1-31-14-16-32(17-15-31)25-18-21(10-12-29-25)26(33)30-13-11-24(19-2-6-22(27)7-3-19)20-4-8-23(28)9-5-20;24-18-5-1-15(2-6-18)20(16-3-7-19(25)8-4-16)10-12-30-22(31)17-9-11-29-21(13-17)32-14-23(26,27)28;1-28-21-11-6-17(14-26-21)22(27)25-13-12-20(15-2-7-18(23)8-3-15)16-4-9-19(24)10-5-16;1-28-21-14-17(10-12-25-21)22(27)26-13-11-20(15-2-6-18(23)7-3-15)16-4-8-19(24)9-5-16/h2-11,18,24H,12-17H2,1H3,(H,29,33);2-10,12,18,24H,11,13-17H2,1H3,(H,30,33);1-9,11,13,20H,10,12,14H2,(H,30,31);2-11,14,20H,12-13H2,1H3,(H,25,27);2-10,12,14,20H,11,13H2,1H3,(H,26,27).
What are the key properties of N-[3,3-bis(4-fluorophenyl)propyl]-2-methoxypyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-methoxypyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide?
N-[3,3-bis(4-fluorophenyl)propyl]-2-methoxypyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-methoxypyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide has a molecular weight of 2116.29 g/mol, XLogP of 22.02, 36 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-bis(4-fluorophenyl)propyl]-2-methoxypyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-methoxypyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide is sourced from PubChem (CID 160925015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).