4-(2-aminoethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;4-(1,2-dihydroxyethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-[2-hydroxyethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-[methyl-[2-(methylamino)ethyl]amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide

C187H202F12N30O24 — CID 158802798

IUPAC4-(2-aminoethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;4-(1,2-dihydroxyethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-[2-hydroxyethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-[methyl-[2-(methylamino)ethyl]amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCNCCN(C)c1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)ccn1.Cc1ccc(NC(=O)c2ccc(C(O)CO)c(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.Cc1ccc(NC(=O)c2ccc(CCN)c(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.Cc1ccc(NC(=O)c2ccc(CN)c(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CC3CC(C2)O3)c(=O)n(C)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CC3CC(C2)O3)c(=O)n(C)c1.Cc1ccc(NC(=O)c2ccnc(N(C)CCO)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
InChIInChI=1S/C28H29N5O3.C27H29F3N4O3.C27H28F3N3O5.C27H34N6O3.C26H27F3N4O3.C26H24F3N3O3.C26H31N5O4/c1-17-5-6-20(31-26(34)18-7-8-30-25(10-18)28(2,3)16-29)11-23(17)19-9-24(27(35)32(4)13-19)33-14-21-12-22(15-33)36-21;1-17-3-6-21(32-25(35)19-5-4-18(7-8-31)23(13-19)27(28,29)30)15-22(17)20-14-24(26(36)33(2)16-20)34-9-11-37-12-10-34;1-16-3-5-19(31-25(36)17-4-6-20(24(35)15-34)22(11-17)27(28,29)30)13-21(16)18-12-23(26(37)32(2)14-18)33-7-9-38-10-8-33;1-19-5-6-22(30-26(34)20-7-8-29-25(16-20)31(3)10-9-28-2)17-23(19)21-15-24(27(35)32(4)18-21)33-11-13-36-14-12-33;1-16-3-6-20(31-24(34)17-4-5-18(14-30)22(11-17)26(27,28)29)13-21(16)19-12-23(25(35)32(2)15-19)33-7-9-36-10-8-33;1-15-6-7-19(30-24(33)16-4-3-5-18(8-16)26(27,28)29)10-22(15)17-9-23(25(34)31(2)12-17)32-13-20-11-21(14-32)35-20;1-18-4-5-21(28-25(33)19-6-7-27-24(15-19)29(2)8-11-32)16-22(18)20-14-23(26(34)30(3)17-20)31-9-12-35-13-10-31/h5-11,13,21-22H,12,14-15H2,1-4H3,(H,31,34);3-6,13-16H,7-12,31H2,1-2H3,(H,32,35);3-6,11-14,24,34-35H,7-10,15H2,1-2H3,(H,31,36);5-8,15-18,28H,9-14H2,1-4H3,(H,30,34);3-6,11-13,15H,7-10,14,30H2,1-2H3,(H,31,34);3-10,12,20-21H,11,13-14H2,1-2H3,(H,30,33);4-7,14-17,32H,8-13H2,1-3H3,(H,28,33)
InChIKeyITRXAUYOKFLTQS-UHFFFAOYSA-N
MW3481.83 g/mol
LogP24.56
Rot. Bonds41

About 4-(2-aminoethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;4-(1,2-dihydroxyethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-[2-hydroxyethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-[methyl-[2-(methylamino)ethyl]amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide

4-(2-aminoethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;4-(1,2-dihydroxyethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-[2-hydroxyethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-[methyl-[2-(methylamino)ethyl]amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 158802798) has the molecular formula C187H202F12N30O24 and a molecular weight of 3481.83 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;4-(1,2-dihydroxyethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-[2-hydroxyethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-[methyl-[2-(methylamino)ethyl]amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;4-(1,2-dihydroxyethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-[2-hydroxyethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-[methyl-[2-(methylamino)ethyl]amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID158802798
Molecular FormulaC187H202F12N30O24
Molecular Weight3481.83 g/mol
Exact Mass3479.53
IUPAC Name4-(2-aminoethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;4-(1,2-dihydroxyethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-[2-hydroxyethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-[methyl-[2-(methylamino)ethyl]amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCNCCN(C)c1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)ccn1.Cc1ccc(NC(=O)c2ccc(C(O)CO)c(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.Cc1ccc(NC(=O)c2ccc(CCN)c(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.Cc1ccc(NC(=O)c2ccc(CN)c(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CC3CC(C2)O3)c(=O)n(C)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CC3CC(C2)O3)c(=O)n(C)c1.Cc1ccc(NC(=O)c2ccnc(N(C)CCO)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
InChIInChI=1S/C28H29N5O3.C27H29F3N4O3.C27H28F3N3O5.C27H34N6O3.C26H27F3N4O3.C26H24F3N3O3.C26H31N5O4/c1-17-5-6-20(31-26(34)18-7-8-30-25(10-18)28(2,3)16-29)11-23(17)19-9-24(27(35)32(4)13-19)33-14-21-12-22(15-33)36-21;1-17-3-6-21(32-25(35)19-5-4-18(7-8-31)23(13-19)27(28,29)30)15-22(17)20-14-24(26(36)33(2)16-20)34-9-11-37-12-10-34;1-16-3-5-19(31-25(36)17-4-6-20(24(35)15-34)22(11-17)27(28,29)30)13-21(16)18-12-23(26(37)32(2)14-18)33-7-9-38-10-8-33;1-19-5-6-22(30-26(34)20-7-8-29-25(16-20)31(3)10-9-28-2)17-23(19)21-15-24(27(35)32(4)18-21)33-11-13-36-14-12-33;1-16-3-6-20(31-24(34)17-4-5-18(14-30)22(11-17)26(27,28)29)13-21(16)19-12-23(25(35)32(2)15-19)33-7-9-36-10-8-33;1-15-6-7-19(30-24(33)16-4-3-5-18(8-16)26(27,28)29)10-22(15)17-9-23(25(34)31(2)12-17)32-13-20-11-21(14-32)35-20;1-18-4-5-21(28-25(33)19-6-7-27-24(15-19)29(2)8-11-32)16-22(18)20-14-23(26(34)30(3)17-20)31-9-12-35-13-10-31/h5-11,13,21-22H,12,14-15H2,1-4H3,(H,31,34);3-6,13-16H,7-12,31H2,1-2H3,(H,32,35);3-6,11-14,24,34-35H,7-10,15H2,1-2H3,(H,31,36);5-8,15-18,28H,9-14H2,1-4H3,(H,30,34);3-6,11-13,15H,7-10,14,30H2,1-2H3,(H,31,34);3-10,12,20-21H,11,13-14H2,1-2H3,(H,30,33);4-7,14-17,32H,8-13H2,1-3H3,(H,28,33)
InChIKeyITRXAUYOKFLTQS-UHFFFAOYSA-N
XLogP24.56
TPSA638.69 Ų
H-Bond Donors13
H-Bond Acceptors47
Rotatable Bonds41
Heavy Atoms253
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003481.83
LogP ≤ 524.56
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1047

Analyze 4-(2-aminoethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;4-(1,2-dihydroxyethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-[2-hydroxyethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-[methyl-[2-(methylamino)ethyl]amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;4-(1,2-dihydroxyethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-[2-hydroxyethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-[methyl-[2-(methylamino)ethyl]amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-(2-aminoethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;4-(1,2-dihydroxyethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-[2-hydroxyethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-[methyl-[2-(methylamino)ethyl]amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide (CID 158802798) is 4-(2-aminoethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;4-(1,2-dihydroxyethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-[2-hydroxyethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-[methyl-[2-(methylamino)ethyl]amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;4-(1,2-dihydroxyethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-[2-hydroxyethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-[methyl-[2-(methylamino)ethyl]amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;4-(1,2-dihydroxyethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-[2-hydroxyethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-[methyl-[2-(methylamino)ethyl]amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide is CNCCN(C)c1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)ccn1.Cc1ccc(NC(=O)c2ccc(C(O)CO)c(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.Cc1ccc(NC(=O)c2ccc(CCN)c(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.Cc1ccc(NC(=O)c2ccc(CN)c(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CC3CC(C2)O3)c(=O)n(C)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CC3CC(C2)O3)c(=O)n(C)c1.Cc1ccc(NC(=O)c2ccnc(N(C)CCO)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.
What is the InChIKey of 4-(2-aminoethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;4-(1,2-dihydroxyethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-[2-hydroxyethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-[methyl-[2-(methylamino)ethyl]amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is ITRXAUYOKFLTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3.C27H29F3N4O3.C27H28F3N3O5.C27H34N6O3.C26H27F3N4O3.C26H24F3N3O3.C26H31N5O4/c1-17-5-6-20(31-26(34)18-7-8-30-25(10-18)28(2,3)16-29)11-23(17)19-9-24(27(35)32(4)13-19)33-14-21-12-22(15-33)36-21;1-17-3-6-21(32-25(35)19-5-4-18(7-8-31)23(13-19)27(28,29)30)15-22(17)20-14-24(26(36)33(2)16-20)34-9-11-37-12-10-34;1-16-3-5-19(31-25(36)17-4-6-20(24(35)15-34)22(11-17)27(28,29)30)13-21(16)18-12-23(26(37)32(2)14-18)33-7-9-38-10-8-33;1-19-5-6-22(30-26(34)20-7-8-29-25(16-20)31(3)10-9-28-2)17-23(19)21-15-24(27(35)32(4)18-21)33-11-13-36-14-12-33;1-16-3-6-20(31-24(34)17-4-5-18(14-30)22(11-17)26(27,28)29)13-21(16)19-12-23(25(35)32(2)15-19)33-7-9-36-10-8-33;1-15-6-7-19(30-24(33)16-4-3-5-18(8-16)26(27,28)29)10-22(15)17-9-23(25(34)31(2)12-17)32-13-20-11-21(14-32)35-20;1-18-4-5-21(28-25(33)19-6-7-27-24(15-19)29(2)8-11-32)16-22(18)20-14-23(26(34)30(3)17-20)31-9-12-35-13-10-31/h5-11,13,21-22H,12,14-15H2,1-4H3,(H,31,34);3-6,13-16H,7-12,31H2,1-2H3,(H,32,35);3-6,11-14,24,34-35H,7-10,15H2,1-2H3,(H,31,36);5-8,15-18,28H,9-14H2,1-4H3,(H,30,34);3-6,11-13,15H,7-10,14,30H2,1-2H3,(H,31,34);3-10,12,20-21H,11,13-14H2,1-2H3,(H,30,33);4-7,14-17,32H,8-13H2,1-3H3,(H,28,33).
What are the key properties of 4-(2-aminoethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;4-(1,2-dihydroxyethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-[2-hydroxyethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-[methyl-[2-(methylamino)ethyl]amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide?
4-(2-aminoethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;4-(1,2-dihydroxyethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-[2-hydroxyethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-[methyl-[2-(methylamino)ethyl]amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 3481.83 g/mol, XLogP of 24.56, 41 rotatable bonds, 13 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;4-(aminomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;4-(1,2-dihydroxyethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;2-[2-hydroxyethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-[methyl-[2-(methylamino)ethyl]amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[1-methyl-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 158802798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).