N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

C109H113F12N15O14 — CID 160848737

IUPACN-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC2CCOCC2)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C(C)C)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC(C)C)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC2CCOCC2)c(N2CCOCC2)c1
InChIInChI=1S/C29H30F3N3O4.C28H29F3N4O4.2C26H27F3N4O3/c1-19-5-6-23(34-27(36)20-3-2-4-22(15-20)29(30,31)32)17-25(19)21-16-26(35-9-13-38-14-10-35)28(33-18-21)39-24-7-11-37-12-8-24;1-18-24(15-22(17-32-18)34-26(36)19-3-2-4-21(13-19)28(29,30)31)20-14-25(35-7-11-38-12-8-35)27(33-16-20)39-23-5-9-37-10-6-23;1-16(2)33-15-19(12-23(25(33)35)32-7-9-36-10-8-32)22-13-21(14-30-17(22)3)31-24(34)18-5-4-6-20(11-18)26(27,28)29;1-16(2)36-25-23(33-7-9-35-10-8-33)12-19(14-31-25)22-13-21(15-30-17(22)3)32-24(34)18-5-4-6-20(11-18)26(27,28)29/h2-6,15-18,24H,7-14H2,1H3,(H,34,36);2-4,13-17,23H,5-12H2,1H3,(H,34,36);4-6,11-16H,7-10H2,1-3H3,(H,31,34);4-6,11-16H,7-10H2,1-3H3,(H,32,34)
InChIKeySIZFLHSENITQMH-UHFFFAOYSA-N
MW2085.17 g/mol
LogP21.09
Rot. Bonds23

About N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 160848737) has the molecular formula C109H113F12N15O14 and a molecular weight of 2085.17 g/mol. Its IUPAC name is N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID160848737
Molecular FormulaC109H113F12N15O14
Molecular Weight2085.17 g/mol
Exact Mass2083.84
IUPAC NameN-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC2CCOCC2)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C(C)C)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC(C)C)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC2CCOCC2)c(N2CCOCC2)c1
InChIInChI=1S/C29H30F3N3O4.C28H29F3N4O4.2C26H27F3N4O3/c1-19-5-6-23(34-27(36)20-3-2-4-22(15-20)29(30,31)32)17-25(19)21-16-26(35-9-13-38-14-10-35)28(33-18-21)39-24-7-11-37-12-8-24;1-18-24(15-22(17-32-18)34-26(36)19-3-2-4-21(13-19)28(29,30)31)20-14-25(35-7-11-38-12-8-35)27(33-16-20)39-23-5-9-37-10-6-23;1-16(2)33-15-19(12-23(25(33)35)32-7-9-36-10-8-32)22-13-21(14-30-17(22)3)31-24(34)18-5-4-6-20(11-18)26(27,28)29;1-16(2)36-25-23(33-7-9-35-10-8-33)12-19(14-31-25)22-13-21(15-30-17(22)3)32-24(34)18-5-4-6-20(11-18)26(27,28)29/h2-6,15-18,24H,7-14H2,1H3,(H,34,36);2-4,13-17,23H,5-12H2,1H3,(H,34,36);4-6,11-16H,7-10H2,1-3H3,(H,31,34);4-6,11-16H,7-10H2,1-3H3,(H,32,34)
InChIKeySIZFLHSENITQMH-UHFFFAOYSA-N
XLogP21.09
TPSA311.77 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds23
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002085.17
LogP ≤ 521.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 160848737) is N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC2CCOCC2)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C(C)C)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC(C)C)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC2CCOCC2)c(N2CCOCC2)c1.
What is the InChIKey of N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is SIZFLHSENITQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F3N3O4.C28H29F3N4O4.2C26H27F3N4O3/c1-19-5-6-23(34-27(36)20-3-2-4-22(15-20)29(30,31)32)17-25(19)21-16-26(35-9-13-38-14-10-35)28(33-18-21)39-24-7-11-37-12-8-24;1-18-24(15-22(17-32-18)34-26(36)19-3-2-4-21(13-19)28(29,30)31)20-14-25(35-7-11-38-12-8-35)27(33-16-20)39-23-5-9-37-10-6-23;1-16(2)33-15-19(12-23(25(33)35)32-7-9-36-10-8-32)22-13-21(14-30-17(22)3)31-24(34)18-5-4-6-20(11-18)26(27,28)29;1-16(2)36-25-23(33-7-9-35-10-8-33)12-19(14-31-25)22-13-21(15-30-17(22)3)32-24(34)18-5-4-6-20(11-18)26(27,28)29/h2-6,15-18,24H,7-14H2,1H3,(H,34,36);2-4,13-17,23H,5-12H2,1H3,(H,34,36);4-6,11-16H,7-10H2,1-3H3,(H,31,34);4-6,11-16H,7-10H2,1-3H3,(H,32,34).
What are the key properties of N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 2085.17 g/mol, XLogP of 21.09, 23 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 160848737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).