N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-[3-(dimethylamino)phenyl]ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-(5-methyl-1,2-oxazol-4-yl)ethenylamino]benzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-[4-(trifluoromethyl)phenyl]ethenylamino]benzamide

C110H101F5N22O7 — CID 158381199

IUPACN-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-[3-(dimethylamino)phenyl]ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-(5-methyl-1,2-oxazol-4-yl)ethenylamino]benzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-[4-(trifluoromethyl)phenyl]ethenylamino]benzamide
SMILESC=C(Nc1ccc(C)c(C(=O)Nc2cnc(Cc3cccc(N)c3)nc2)c1)c1ccc(C(F)(F)F)cc1.C=C(Nc1ccc(C)c(C(=O)Nc2cnc(Cc3cccc(N)c3)nc2)c1)c1ccc2c(c1)OC(F)(F)O2.C=C(Nc1ccc(C)c(C(=O)Nc2cnc(Cc3cccc(N)c3)nc2)c1)c1cccc(N(C)C)c1.C=C(Nc1ccc(C)c(C(=O)Nc2cnc(Cc3cccc(N)c3)nc2)c1)c1cnoc1C
InChIInChI=1S/C29H30N6O.C28H24F3N5O.C28H23F2N5O3.C25H24N6O2/c1-19-11-12-24(33-20(2)22-8-6-10-26(15-22)35(3)4)16-27(19)29(36)34-25-17-31-28(32-18-25)14-21-7-5-9-23(30)13-21;1-17-6-11-23(35-18(2)20-7-9-21(10-8-20)28(29,30)31)14-25(17)27(37)36-24-15-33-26(34-16-24)13-19-4-3-5-22(32)12-19;1-16-6-8-21(34-17(2)19-7-9-24-25(12-19)38-28(29,30)37-24)13-23(16)27(36)35-22-14-32-26(33-15-22)11-18-4-3-5-20(31)10-18;1-15-7-8-20(30-16(2)23-14-29-33-17(23)3)11-22(15)25(32)31-21-12-27-24(28-13-21)10-18-5-4-6-19(26)9-18/h5-13,15-18,33H,2,14,30H2,1,3-4H3,(H,34,36);3-12,14-16,35H,2,13,32H2,1H3,(H,36,37);3-10,12-15,34H,2,11,31H2,1H3,(H,35,36);4-9,11-14,30H,2,10,26H2,1,3H3,(H,31,32)
InChIKeyGVUSIQNGXYAPAM-UHFFFAOYSA-N
MW1938.15 g/mol
LogP21.88
Rot. Bonds29

About N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-[3-(dimethylamino)phenyl]ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-(5-methyl-1,2-oxazol-4-yl)ethenylamino]benzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-[4-(trifluoromethyl)phenyl]ethenylamino]benzamide

N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-[3-(dimethylamino)phenyl]ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-(5-methyl-1,2-oxazol-4-yl)ethenylamino]benzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-[4-(trifluoromethyl)phenyl]ethenylamino]benzamide (PubChem CID 158381199) has the molecular formula C110H101F5N22O7 and a molecular weight of 1938.15 g/mol. Its IUPAC name is N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-[3-(dimethylamino)phenyl]ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-(5-methyl-1,2-oxazol-4-yl)ethenylamino]benzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-[4-(trifluoromethyl)phenyl]ethenylamino]benzamide.

Molecular Properties

Compound NameN-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-[3-(dimethylamino)phenyl]ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-(5-methyl-1,2-oxazol-4-yl)ethenylamino]benzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-[4-(trifluoromethyl)phenyl]ethenylamino]benzamide
PubChem CID158381199
Molecular FormulaC110H101F5N22O7
Molecular Weight1938.15 g/mol
Exact Mass1936.81
IUPAC NameN-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-[3-(dimethylamino)phenyl]ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-(5-methyl-1,2-oxazol-4-yl)ethenylamino]benzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-[4-(trifluoromethyl)phenyl]ethenylamino]benzamide
SMILESC=C(Nc1ccc(C)c(C(=O)Nc2cnc(Cc3cccc(N)c3)nc2)c1)c1ccc(C(F)(F)F)cc1.C=C(Nc1ccc(C)c(C(=O)Nc2cnc(Cc3cccc(N)c3)nc2)c1)c1ccc2c(c1)OC(F)(F)O2.C=C(Nc1ccc(C)c(C(=O)Nc2cnc(Cc3cccc(N)c3)nc2)c1)c1cccc(N(C)C)c1.C=C(Nc1ccc(C)c(C(=O)Nc2cnc(Cc3cccc(N)c3)nc2)c1)c1cnoc1C
InChIInChI=1S/C29H30N6O.C28H24F3N5O.C28H23F2N5O3.C25H24N6O2/c1-19-11-12-24(33-20(2)22-8-6-10-26(15-22)35(3)4)16-27(19)29(36)34-25-17-31-28(32-18-25)14-21-7-5-9-23(30)13-21;1-17-6-11-23(35-18(2)20-7-9-21(10-8-20)28(29,30)31)14-25(17)27(37)36-24-15-33-26(34-16-24)13-19-4-3-5-22(32)12-19;1-16-6-8-21(34-17(2)19-7-9-24-25(12-19)38-28(29,30)37-24)13-23(16)27(36)35-22-14-32-26(33-15-22)11-18-4-3-5-20(31)10-18;1-15-7-8-20(30-16(2)23-14-29-33-17(23)3)11-22(15)25(32)31-21-12-27-24(28-13-21)10-18-5-4-6-19(26)9-18/h5-13,15-18,33H,2,14,30H2,1,3-4H3,(H,34,36);3-12,14-16,35H,2,13,32H2,1H3,(H,36,37);3-10,12-15,34H,2,11,31H2,1H3,(H,35,36);4-9,11-14,30H,2,10,26H2,1,3H3,(H,31,32)
InChIKeyGVUSIQNGXYAPAM-UHFFFAOYSA-N
XLogP21.88
TPSA419.45 Ų
H-Bond Donors12
H-Bond Acceptors25
Rotatable Bonds29
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001938.15
LogP ≤ 521.88
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-[3-(dimethylamino)phenyl]ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-(5-methyl-1,2-oxazol-4-yl)ethenylamino]benzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-[4-(trifluoromethyl)phenyl]ethenylamino]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-[3-(dimethylamino)phenyl]ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-(5-methyl-1,2-oxazol-4-yl)ethenylamino]benzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-[4-(trifluoromethyl)phenyl]ethenylamino]benzamide?
The IUPAC name of N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-[3-(dimethylamino)phenyl]ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-(5-methyl-1,2-oxazol-4-yl)ethenylamino]benzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-[4-(trifluoromethyl)phenyl]ethenylamino]benzamide (CID 158381199) is N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-[3-(dimethylamino)phenyl]ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-(5-methyl-1,2-oxazol-4-yl)ethenylamino]benzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-[4-(trifluoromethyl)phenyl]ethenylamino]benzamide.
What is the SMILES notation for N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-[3-(dimethylamino)phenyl]ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-(5-methyl-1,2-oxazol-4-yl)ethenylamino]benzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-[4-(trifluoromethyl)phenyl]ethenylamino]benzamide?
The canonical SMILES for N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-[3-(dimethylamino)phenyl]ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-(5-methyl-1,2-oxazol-4-yl)ethenylamino]benzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-[4-(trifluoromethyl)phenyl]ethenylamino]benzamide is C=C(Nc1ccc(C)c(C(=O)Nc2cnc(Cc3cccc(N)c3)nc2)c1)c1ccc(C(F)(F)F)cc1.C=C(Nc1ccc(C)c(C(=O)Nc2cnc(Cc3cccc(N)c3)nc2)c1)c1ccc2c(c1)OC(F)(F)O2.C=C(Nc1ccc(C)c(C(=O)Nc2cnc(Cc3cccc(N)c3)nc2)c1)c1cccc(N(C)C)c1.C=C(Nc1ccc(C)c(C(=O)Nc2cnc(Cc3cccc(N)c3)nc2)c1)c1cnoc1C.
What is the InChIKey of N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-[3-(dimethylamino)phenyl]ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-(5-methyl-1,2-oxazol-4-yl)ethenylamino]benzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-[4-(trifluoromethyl)phenyl]ethenylamino]benzamide?
The InChIKey is GVUSIQNGXYAPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O.C28H24F3N5O.C28H23F2N5O3.C25H24N6O2/c1-19-11-12-24(33-20(2)22-8-6-10-26(15-22)35(3)4)16-27(19)29(36)34-25-17-31-28(32-18-25)14-21-7-5-9-23(30)13-21;1-17-6-11-23(35-18(2)20-7-9-21(10-8-20)28(29,30)31)14-25(17)27(37)36-24-15-33-26(34-16-24)13-19-4-3-5-22(32)12-19;1-16-6-8-21(34-17(2)19-7-9-24-25(12-19)38-28(29,30)37-24)13-23(16)27(36)35-22-14-32-26(33-15-22)11-18-4-3-5-20(31)10-18;1-15-7-8-20(30-16(2)23-14-29-33-17(23)3)11-22(15)25(32)31-21-12-27-24(28-13-21)10-18-5-4-6-19(26)9-18/h5-13,15-18,33H,2,14,30H2,1,3-4H3,(H,34,36);3-12,14-16,35H,2,13,32H2,1H3,(H,36,37);3-10,12-15,34H,2,11,31H2,1H3,(H,35,36);4-9,11-14,30H,2,10,26H2,1,3H3,(H,31,32).
What are the key properties of N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-[3-(dimethylamino)phenyl]ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-(5-methyl-1,2-oxazol-4-yl)ethenylamino]benzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-[4-(trifluoromethyl)phenyl]ethenylamino]benzamide?
N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-[3-(dimethylamino)phenyl]ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-(5-methyl-1,2-oxazol-4-yl)ethenylamino]benzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-[4-(trifluoromethyl)phenyl]ethenylamino]benzamide has a molecular weight of 1938.15 g/mol, XLogP of 21.88, 29 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-5-[1-[3-(dimethylamino)phenyl]ethenylamino]-2-methylbenzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-(5-methyl-1,2-oxazol-4-yl)ethenylamino]benzamide;N-[2-[(3-aminophenyl)methyl]pyrimidin-5-yl]-2-methyl-5-[1-[4-(trifluoromethyl)phenyl]ethenylamino]benzamide is sourced from PubChem (CID 158381199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).