2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[5-methyl-2-[(1-methyl-2-methylidene-3H-indol-5-yl)amino]-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

C100H96F6N20O6 — CID 159279723

About 2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[5-methyl-2-[(1-methyl-2-methylidene-3H-indol-5-yl)amino]-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[5-methyl-2-[(1-methyl-2-methylidene-3H-indol-5-yl)amino]-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (PubChem CID 159279723) has the molecular formula C100H96F6N20O6 and a molecular weight of 1787.99 g/mol. Its IUPAC name is 2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[5-methyl-2-[(1-methyl-2-methylidene-3H-indol-5-yl)amino]-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

Molecular Properties

• Compound Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[5-methyl-2-[(1-methyl-2-methylidene-3H-indol-5-yl)amino]-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
• PubChem CID: 159279723
• Molecular Formula: C100H96F6N20O6
• Molecular Weight: 1787.99 g/mol
• Exact Mass: 1786.77
• IUPAC Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[5-methyl-2-[(1-methyl-2-methylidene-3H-indol-5-yl)amino]-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
• SMILES: C=C1Cc2cc(Nc3cc(Nc4ccccc4C(=O)NC)c(C)cn3)ccc2N1C.CNC(=O)c1ccccc1Nc1cc(Nc2ccc3c(c2)C(C2=CCNCC2)=CC3)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc3c(c2)C(C2=CCNCC2)=NC3)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc3c(c2)OCO3)ncc1C
• InChI: InChI=1S/C28H26F3N5O.C27H25F3N6O.C24H25N5O.C21H20N4O3/c1-32-27(37)21-4-2-3-5-24(21)36-25-15-26(34-16-23(25)28(29,30)31)35-19-8-6-17-7-9-20(22(17)14-19)18-10-12-33-13-11-18;1-31-26(37)19-4-2-3-5-22(19)36-23-13-24(33-15-21(23)27(28,29)30)35-18-7-6-17-14-34-25(20(17)12-18)16-8-10-32-11-9-16;1-15-14-26-23(27-18-9-10-22-17(12-18)11-16(2)29(22)4)13-21(15)28-20-8-6-5-7-19(20)24(30)25-3;1-13-11-23-20(24-14-7-8-18-19(9-14)28-12-27-18)10-17(13)25-16-6-4-3-5-15(16)21(26)22-2/h2-6,8-10,14-16,33H,7,11-13H2,1H3,(H,32,37)(H2,34,35,36);2-8,12-13,15,32H,9-11,14H2,1H3,(H,31,37)(H2,33,35,36);5-10,12-14H,2,11H2,1,3-4H3,(H,25,30)(H2,26,27,28);3-11H,12H2,1-2H3,(H,22,26)(H2,23,24,25)
• InChIKey: KYTLDZORFWXSIS-UHFFFAOYSA-N
• XLogP: 19.68
• TPSA: 322.32 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1787.99
LogP ≤ 5	19.68
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[5-methyl-2-[(1-methyl-2-methylidene-3H-indol-5-yl)amino]-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?

The IUPAC name of 2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[5-methyl-2-[(1-methyl-2-methylidene-3H-indol-5-yl)amino]-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (CID 159279723) is 2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[5-methyl-2-[(1-methyl-2-methylidene-3H-indol-5-yl)amino]-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

What is the SMILES notation for 2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[5-methyl-2-[(1-methyl-2-methylidene-3H-indol-5-yl)amino]-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?

The canonical SMILES for 2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[5-methyl-2-[(1-methyl-2-methylidene-3H-indol-5-yl)amino]-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is C=C1Cc2cc(Nc3cc(Nc4ccccc4C(=O)NC)c(C)cn3)ccc2N1C.CNC(=O)c1ccccc1Nc1cc(Nc2ccc3c(c2)C(C2=CCNCC2)=CC3)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc3c(c2)C(C2=CCNCC2)=NC3)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc3c(c2)OCO3)ncc1C.

What is the InChIKey of 2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[5-methyl-2-[(1-methyl-2-methylidene-3H-indol-5-yl)amino]-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?

The InChIKey is KYTLDZORFWXSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N5O.C27H25F3N6O.C24H25N5O.C21H20N4O3/c1-32-27(37)21-4-2-3-5-24(21)36-25-15-26(34-16-23(25)28(29,30)31)35-19-8-6-17-7-9-20(22(17)14-19)18-10-12-33-13-11-18;1-31-26(37)19-4-2-3-5-22(19)36-23-13-24(33-15-21(23)27(28,29)30)35-18-7-6-17-14-34-25(20(17)12-18)16-8-10-32-11-9-16;1-15-14-26-23(27-18-9-10-22-17(12-18)11-16(2)29(22)4)13-21(15)28-20-8-6-5-7-19(20)24(30)25-3;1-13-11-23-20(24-14-7-8-18-19(9-14)28-12-27-18)10-17(13)25-16-6-4-3-5-15(16)21(26)22-2/h2-6,8-10,14-16,33H,7,11-13H2,1H3,(H,32,37)(H2,34,35,36);2-8,12-13,15,32H,9-11,14H2,1H3,(H,31,37)(H2,33,35,36);5-10,12-14H,2,11H2,1,3-4H3,(H,25,30)(H2,26,27,28);3-11H,12H2,1-2H3,(H,22,26)(H2,23,24,25).

What are the key properties of 2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[5-methyl-2-[(1-methyl-2-methylidene-3H-indol-5-yl)amino]-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?

2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[5-methyl-2-[(1-methyl-2-methylidene-3H-indol-5-yl)amino]-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide has a molecular weight of 1787.99 g/mol, XLogP of 19.68, 22 rotatable bonds, 14 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[5-methyl-2-[(1-methyl-2-methylidene-3H-indol-5-yl)amino]-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 159279723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).