6-(dimethylamino)-N-[2-methyl-5-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide

C59H65F3N8O6 — CID 87728291

IUPAC6-(dimethylamino)-N-[2-methyl-5-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide
SMILESCOc1ccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccc(N5CCC(O)CC5)nc4)c3)CC2)cc1.Cc1ccc(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)cc1NC(=O)c1ccc(N(C)C)nc1
InChIInChI=1S/C31H36N4O4.C28H29F3N4O2/c1-21-3-4-24(31(38)35-15-11-23(12-16-35)22-5-8-27(39-2)9-6-22)19-28(21)33-30(37)25-7-10-29(32-20-25)34-17-13-26(36)14-18-34;1-18-4-5-21(16-24(18)33-26(36)22-8-11-25(32-17-22)34(2)3)27(37)35-14-12-20(13-15-35)19-6-9-23(10-7-19)28(29,30)31/h3-10,19-20,23,26,36H,11-18H2,1-2H3,(H,33,37);4-11,16-17,20H,12-15H2,1-3H3,(H,33,36)
InChIKeyFTDHFQGTWBQYEN-UHFFFAOYSA-N
MW1039.21 g/mol
LogP10.38
Rot. Bonds11

About 6-(dimethylamino)-N-[2-methyl-5-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide

6-(dimethylamino)-N-[2-methyl-5-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide (PubChem CID 87728291) has the molecular formula C59H65F3N8O6 and a molecular weight of 1039.21 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[2-methyl-5-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-[2-methyl-5-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide
PubChem CID87728291
Molecular FormulaC59H65F3N8O6
Molecular Weight1039.21 g/mol
Exact Mass1038.50
IUPAC Name6-(dimethylamino)-N-[2-methyl-5-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide
SMILESCOc1ccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccc(N5CCC(O)CC5)nc4)c3)CC2)cc1.Cc1ccc(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)cc1NC(=O)c1ccc(N(C)C)nc1
InChIInChI=1S/C31H36N4O4.C28H29F3N4O2/c1-21-3-4-24(31(38)35-15-11-23(12-16-35)22-5-8-27(39-2)9-6-22)19-28(21)33-30(37)25-7-10-29(32-20-25)34-17-13-26(36)14-18-34;1-18-4-5-21(16-24(18)33-26(36)22-8-11-25(32-17-22)34(2)3)27(37)35-14-12-20(13-15-35)19-6-9-23(10-7-19)28(29,30)31/h3-10,19-20,23,26,36H,11-18H2,1-2H3,(H,33,37);4-11,16-17,20H,12-15H2,1-3H3,(H,33,36)
InChIKeyFTDHFQGTWBQYEN-UHFFFAOYSA-N
XLogP10.38
TPSA160.54 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.21
LogP ≤ 510.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-(dimethylamino)-N-[2-methyl-5-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-[2-methyl-5-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-[2-methyl-5-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide (CID 87728291) is 6-(dimethylamino)-N-[2-methyl-5-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-[2-methyl-5-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-[2-methyl-5-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide is COc1ccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccc(N5CCC(O)CC5)nc4)c3)CC2)cc1.Cc1ccc(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)cc1NC(=O)c1ccc(N(C)C)nc1.
What is the InChIKey of 6-(dimethylamino)-N-[2-methyl-5-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide?
The InChIKey is FTDHFQGTWBQYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O4.C28H29F3N4O2/c1-21-3-4-24(31(38)35-15-11-23(12-16-35)22-5-8-27(39-2)9-6-22)19-28(21)33-30(37)25-7-10-29(32-20-25)34-17-13-26(36)14-18-34;1-18-4-5-21(16-24(18)33-26(36)22-8-11-25(32-17-22)34(2)3)27(37)35-14-12-20(13-15-35)19-6-9-23(10-7-19)28(29,30)31/h3-10,19-20,23,26,36H,11-18H2,1-2H3,(H,33,37);4-11,16-17,20H,12-15H2,1-3H3,(H,33,36).
What are the key properties of 6-(dimethylamino)-N-[2-methyl-5-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide?
6-(dimethylamino)-N-[2-methyl-5-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide has a molecular weight of 1039.21 g/mol, XLogP of 10.38, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-[2-methyl-5-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 87728291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).