N-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate

C65H76F6N10O6 — CID 161296330

IUPACN-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate
SMILESCc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C2CCOCC2)nc(N2CCC(C)(N)CC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C2CCOCC2)nc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C35H42F3N5O4.C30H34F3N5O2/c1-22-6-7-26(40-31(44)24-8-13-39-29(19-24)35(36,37)38)21-27(22)25-18-28(23-9-16-46-17-10-23)41-30(20-25)43-14-11-34(5,12-15-43)42-32(45)47-33(2,3)4;1-19-3-4-23(36-28(39)21-5-10-35-26(16-21)30(31,32)33)18-24(19)22-15-25(20-6-13-40-14-7-20)37-27(17-22)38-11-8-29(2,34)9-12-38/h6-8,13,18-21,23H,9-12,14-17H2,1-5H3,(H,40,44)(H,42,45);3-5,10,15-18,20H,6-9,11-14,34H2,1-2H3,(H,36,39)
InChIKeyVHADYYDYLPTIJJ-UHFFFAOYSA-N
MW1207.37 g/mol
LogP13.44
Rot. Bonds11

About N-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate

N-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate (PubChem CID 161296330) has the molecular formula C65H76F6N10O6 and a molecular weight of 1207.37 g/mol. Its IUPAC name is N-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound NameN-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate
PubChem CID161296330
Molecular FormulaC65H76F6N10O6
Molecular Weight1207.37 g/mol
Exact Mass1206.59
IUPAC NameN-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate
SMILESCc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C2CCOCC2)nc(N2CCC(C)(N)CC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C2CCOCC2)nc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C35H42F3N5O4.C30H34F3N5O2/c1-22-6-7-26(40-31(44)24-8-13-39-29(19-24)35(36,37)38)21-27(22)25-18-28(23-9-16-46-17-10-23)41-30(20-25)43-14-11-34(5,12-15-43)42-32(45)47-33(2,3)4;1-19-3-4-23(36-28(39)21-5-10-35-26(16-21)30(31,32)33)18-24(19)22-15-25(20-6-13-40-14-7-20)37-27(17-22)38-11-8-29(2,34)9-12-38/h6-8,13,18-21,23H,9-12,14-17H2,1-5H3,(H,40,44)(H,42,45);3-5,10,15-18,20H,6-9,11-14,34H2,1-2H3,(H,36,39)
InChIKeyVHADYYDYLPTIJJ-UHFFFAOYSA-N
XLogP13.44
TPSA199.05 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001207.37
LogP ≤ 513.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze N-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate with MolForge

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Related Compounds

2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-methylphenyl]pyridine-4-carboxamide
CID 90461292
N-[4-methyl-3-(2-morpholin-4-yl-6-piperazin-1-ylpyridin-4-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 117609720
N-[3-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 117610072
N-[4-methyl-3-(2-morpholin-4-ylpyridin-4-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 118887119
US10377770, Example 299
CID 129271671
US10377770, Example 235
CID 129271679
US10377770, Example 293
CID 129271926
US10377770, Example 292
CID 129271928
US10377770, Example 361
CID 129271943
US10377770, Example 304
CID 129272003
US10377770, Example 305
CID 129272006
US10377770, Example 291
CID 129272144

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate?
The IUPAC name of N-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate (CID 161296330) is N-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate.
What is the SMILES notation for N-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate?
The canonical SMILES for N-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate is Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C2CCOCC2)nc(N2CCC(C)(N)CC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C2CCOCC2)nc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of N-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate?
The InChIKey is VHADYYDYLPTIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42F3N5O4.C30H34F3N5O2/c1-22-6-7-26(40-31(44)24-8-13-39-29(19-24)35(36,37)38)21-27(22)25-18-28(23-9-16-46-17-10-23)41-30(20-25)43-14-11-34(5,12-15-43)42-32(45)47-33(2,3)4;1-19-3-4-23(36-28(39)21-5-10-35-26(16-21)30(31,32)33)18-24(19)22-15-25(20-6-13-40-14-7-20)37-27(17-22)38-11-8-29(2,34)9-12-38/h6-8,13,18-21,23H,9-12,14-17H2,1-5H3,(H,40,44)(H,42,45);3-5,10,15-18,20H,6-9,11-14,34H2,1-2H3,(H,36,39).
What are the key properties of N-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate?
N-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate has a molecular weight of 1207.37 g/mol, XLogP of 13.44, 11 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 161296330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).