2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

C97H95F9N18O10 — CID 162044330

IUPAC2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCCn1cc(C(=O)Nc2ccc(C)c(-c3ccnc(N4CCOCC4)c3)c2)cc(C(F)(F)F)c1=O.COc1ccc(C(=O)Nc2cnc(C)c(-c3ccnc(N4CCOCC4)c3)c2)cc1C(F)(F)F.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C25H25F3N4O3.C25H26N6O2.C24H23F3N4O3.C23H21F3N4O2/c1-3-31-15-18(12-21(24(31)34)25(26,27)28)23(33)30-19-5-4-16(2)20(14-19)17-6-7-29-22(13-17)32-8-10-35-11-9-32;1-17-21(18-4-7-28-23(13-18)31-8-10-33-11-9-31)14-20(15-29-17)30-24(32)19-5-6-27-22(12-19)25(2,3)16-26;1-15-19(16-5-6-28-22(12-16)31-7-9-34-10-8-31)13-18(14-29-15)30-23(32)17-3-4-21(33-2)20(11-17)24(25,26)27;1-15-20(16-5-6-27-21(12-16)30-7-9-32-10-8-30)13-19(14-28-15)29-22(31)17-3-2-4-18(11-17)23(24,25)26/h4-7,12-15H,3,8-11H2,1-2H3,(H,30,33);4-7,12-15H,8-11H2,1-3H3,(H,30,32);3-6,11-14H,7-10H2,1-2H3,(H,30,32);2-6,11-14H,7-10H2,1H3,(H,29,31)
InChIKeyYXRPTBCMMFZYMZ-UHFFFAOYSA-N
MW1843.92 g/mol
LogP17.21
Rot. Bonds19

About 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 162044330) has the molecular formula C97H95F9N18O10 and a molecular weight of 1843.92 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID162044330
Molecular FormulaC97H95F9N18O10
Molecular Weight1843.92 g/mol
Exact Mass1842.73
IUPAC Name2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCCn1cc(C(=O)Nc2ccc(C)c(-c3ccnc(N4CCOCC4)c3)c2)cc(C(F)(F)F)c1=O.COc1ccc(C(=O)Nc2cnc(C)c(-c3ccnc(N4CCOCC4)c3)c2)cc1C(F)(F)F.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C25H25F3N4O3.C25H26N6O2.C24H23F3N4O3.C23H21F3N4O2/c1-3-31-15-18(12-21(24(31)34)25(26,27)28)23(33)30-19-5-4-16(2)20(14-19)17-6-7-29-22(13-17)32-8-10-35-11-9-32;1-17-21(18-4-7-28-23(13-18)31-8-10-33-11-9-31)14-20(15-29-17)30-24(32)19-5-6-27-22(12-19)25(2,3)16-26;1-15-19(16-5-6-28-22(12-16)31-7-9-34-10-8-31)13-18(14-29-15)30-23(32)17-3-4-21(33-2)20(11-17)24(25,26)27;1-15-20(16-5-6-27-21(12-16)30-7-9-32-10-8-30)13-19(14-28-15)29-22(31)17-3-2-4-18(11-17)23(24,25)26/h4-7,12-15H,3,8-11H2,1-2H3,(H,30,33);4-7,12-15H,8-11H2,1-3H3,(H,30,32);3-6,11-14H,7-10H2,1-2H3,(H,30,32);2-6,11-14H,7-10H2,1H3,(H,29,31)
InChIKeyYXRPTBCMMFZYMZ-UHFFFAOYSA-N
XLogP17.21
TPSA324.42 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001843.92
LogP ≤ 517.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 162044330) is 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is CCn1cc(C(=O)Nc2ccc(C)c(-c3ccnc(N4CCOCC4)c3)c2)cc(C(F)(F)F)c1=O.COc1ccc(C(=O)Nc2cnc(C)c(-c3ccnc(N4CCOCC4)c3)c2)cc1C(F)(F)F.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1ccnc(N2CCOCC2)c1.
What is the InChIKey of 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is YXRPTBCMMFZYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O3.C25H26N6O2.C24H23F3N4O3.C23H21F3N4O2/c1-3-31-15-18(12-21(24(31)34)25(26,27)28)23(33)30-19-5-4-16(2)20(14-19)17-6-7-29-22(13-17)32-8-10-35-11-9-32;1-17-21(18-4-7-28-23(13-18)31-8-10-33-11-9-31)14-20(15-29-17)30-24(32)19-5-6-27-22(12-19)25(2,3)16-26;1-15-19(16-5-6-28-22(12-16)31-7-9-34-10-8-31)13-18(14-29-15)30-23(32)17-3-4-21(33-2)20(11-17)24(25,26)27;1-15-20(16-5-6-27-21(12-16)30-7-9-32-10-8-30)13-19(14-28-15)29-22(31)17-3-2-4-18(11-17)23(24,25)26/h4-7,12-15H,3,8-11H2,1-2H3,(H,30,33);4-7,12-15H,8-11H2,1-3H3,(H,30,32);3-6,11-14H,7-10H2,1-2H3,(H,30,32);2-6,11-14H,7-10H2,1H3,(H,29,31).
What are the key properties of 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 1843.92 g/mol, XLogP of 17.21, 19 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 162044330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).