2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);5-morpholin-4-ylpyridin-2-amine

C70H74ClF9N18O6 — CID 160616662

IUPAC2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);5-morpholin-4-ylpyridin-2-amine
SMILESC.CNC(=O)c1ccccc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cn2)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cn2)ncc1C(F)(F)F.Nc1ccc(N2CCOCC2)cn1
InChIInChI=1S/2C23H23F3N6O2.C14H11ClF3N3O.C9H13N3O.CH4/c2*1-27-22(33)16-4-2-3-5-18(16)30-19-12-21(29-14-17(19)23(24,25)26)31-20-7-6-15(13-28-20)32-8-10-34-11-9-32;1-19-13(22)8-4-2-3-5-10(8)21-11-6-12(15)20-7-9(11)14(16,17)18;10-9-2-1-8(7-11-9)12-3-5-13-6-4-12;/h2*2-7,12-14H,8-11H2,1H3,(H,27,33)(H2,28,29,30,31);2-7H,1H3,(H,19,22)(H,20,21);1-2,7H,3-6H2,(H2,10,11);1H4
InChIKeyRGEISGNDJXPHQI-UHFFFAOYSA-N
MW1469.92 g/mol
LogP13.35
Rot. Bonds16

About 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);5-morpholin-4-ylpyridin-2-amine

2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);5-morpholin-4-ylpyridin-2-amine (PubChem CID 160616662) has the molecular formula C70H74ClF9N18O6 and a molecular weight of 1469.92 g/mol. Its IUPAC name is 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);5-morpholin-4-ylpyridin-2-amine.

Molecular Properties

Compound Name2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);5-morpholin-4-ylpyridin-2-amine
PubChem CID160616662
Molecular FormulaC70H74ClF9N18O6
Molecular Weight1469.92 g/mol
Exact Mass1468.56
IUPAC Name2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);5-morpholin-4-ylpyridin-2-amine
SMILESC.CNC(=O)c1ccccc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cn2)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cn2)ncc1C(F)(F)F.Nc1ccc(N2CCOCC2)cn1
InChIInChI=1S/2C23H23F3N6O2.C14H11ClF3N3O.C9H13N3O.CH4/c2*1-27-22(33)16-4-2-3-5-18(16)30-19-12-21(29-14-17(19)23(24,25)26)31-20-7-6-15(13-28-20)32-8-10-34-11-9-32;1-19-13(22)8-4-2-3-5-10(8)21-11-6-12(15)20-7-9(11)14(16,17)18;10-9-2-1-8(7-11-9)12-3-5-13-6-4-12;/h2*2-7,12-14H,8-11H2,1H3,(H,27,33)(H2,28,29,30,31);2-7H,1H3,(H,19,22)(H,20,21);1-2,7H,3-6H2,(H2,10,11);1H4
InChIKeyRGEISGNDJXPHQI-UHFFFAOYSA-N
XLogP13.35
TPSA288.22 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001469.92
LogP ≤ 513.35
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);5-morpholin-4-ylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-Methylpiperazin-1-yl)phenyl]-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098945
N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)pyridin-2-yl]amino]-5-(trifluoromethyl)pyridin-4-yl]amino]benzamide
CID 58155010
2-[[5-chloro-2-[4-[4-[2-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]amino]-N-methylbenzamide
CID 166632330
N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;bis(2,2,2-trifluoroacetic acid)
CID 117074684
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-[[3-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyridin-2-yl]amino]benzamide
CID 24743210
N-methyl-2-[[2-[(5-morpholin-4-ylpyridin-2-yl)amino]-5-(trifluoromethyl)pyridin-4-yl]amino]benzamide
CID 25071905
(4-(5,7-Difluoro-3-methyl-4-(5-morpholinopyridin-3-ylamino)quinolin-2-yl)piperazin-1-yl)(pyridin-3-yl)methanone
CID 59631374
(4-(5,7-Difluoro-3-methyl-4-(5-morpholinopyridin-3-ylamino)quinolin-2-yl)piperazin-1-yl)(6-methylpyridin-3-yl)methanone
CID 59631432
5-chloro-6-[4-[4-(4-fluoropiperidin-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxamide
CID 59665565
4-[[2-(5-chloro-2-fluorophenyl)-5-methylpyrimidin-4-yl]amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 60071142
N-methyl-2-[methyl-[2-[[5-(morpholine-4-carbonyl)pyridin-2-yl]amino]-5-(trifluoromethyl)pyridin-4-yl]amino]benzamide
CID 71063844
5-Chloro-6-[4-[4-(4-fluoropiperidin-1-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxamide
CID 71127963

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);5-morpholin-4-ylpyridin-2-amine?
The IUPAC name of 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);5-morpholin-4-ylpyridin-2-amine (CID 160616662) is 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);5-morpholin-4-ylpyridin-2-amine.
What is the SMILES notation for 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);5-morpholin-4-ylpyridin-2-amine?
The canonical SMILES for 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);5-morpholin-4-ylpyridin-2-amine is C.CNC(=O)c1ccccc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cn2)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cn2)ncc1C(F)(F)F.Nc1ccc(N2CCOCC2)cn1.
What is the InChIKey of 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);5-morpholin-4-ylpyridin-2-amine?
The InChIKey is RGEISGNDJXPHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H23F3N6O2.C14H11ClF3N3O.C9H13N3O.CH4/c2*1-27-22(33)16-4-2-3-5-18(16)30-19-12-21(29-14-17(19)23(24,25)26)31-20-7-6-15(13-28-20)32-8-10-34-11-9-32;1-19-13(22)8-4-2-3-5-10(8)21-11-6-12(15)20-7-9(11)14(16,17)18;10-9-2-1-8(7-11-9)12-3-5-13-6-4-12;/h2*2-7,12-14H,8-11H2,1H3,(H,27,33)(H2,28,29,30,31);2-7H,1H3,(H,19,22)(H,20,21);1-2,7H,3-6H2,(H2,10,11);1H4.
What are the key properties of 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);5-morpholin-4-ylpyridin-2-amine?
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);5-morpholin-4-ylpyridin-2-amine has a molecular weight of 1469.92 g/mol, XLogP of 13.35, 16 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);5-morpholin-4-ylpyridin-2-amine is sourced from PubChem (CID 160616662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).