2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);3-methylpyridin-2-amine

C60H55ClF9N15O3 — CID 157235212

IUPAC2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);3-methylpyridin-2-amine
SMILESCNC(=O)c1ccccc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ncccc2C)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ncccc2C)ncc1C(F)(F)F.Cc1cccnc1N
InChIInChI=1S/2C20H18F3N5O.C14H11ClF3N3O.C6H8N2/c2*1-12-6-5-9-25-18(12)28-17-10-16(14(11-26-17)20(21,22)23)27-15-8-4-3-7-13(15)19(29)24-2;1-19-13(22)8-4-2-3-5-10(8)21-11-6-12(15)20-7-9(11)14(16,17)18;1-5-3-2-4-8-6(5)7/h2*3-11H,1-2H3,(H,24,29)(H2,25,26,27,28);2-7H,1H3,(H,19,22)(H,20,21);2-4H,1H3,(H2,7,8)
InChIKeyAUOCAAMJVMZCNF-UHFFFAOYSA-N
MW1240.64 g/mol
LogP14.13
Rot. Bonds13

About 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);3-methylpyridin-2-amine

2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);3-methylpyridin-2-amine (PubChem CID 157235212) has the molecular formula C60H55ClF9N15O3 and a molecular weight of 1240.64 g/mol. Its IUPAC name is 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);3-methylpyridin-2-amine.

Molecular Properties

Compound Name2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);3-methylpyridin-2-amine
PubChem CID157235212
Molecular FormulaC60H55ClF9N15O3
Molecular Weight1240.64 g/mol
Exact Mass1239.42
IUPAC Name2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);3-methylpyridin-2-amine
SMILESCNC(=O)c1ccccc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ncccc2C)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ncccc2C)ncc1C(F)(F)F.Cc1cccnc1N
InChIInChI=1S/2C20H18F3N5O.C14H11ClF3N3O.C6H8N2/c2*1-12-6-5-9-25-18(12)28-17-10-16(14(11-26-17)20(21,22)23)27-15-8-4-3-7-13(15)19(29)24-2;1-19-13(22)8-4-2-3-5-10(8)21-11-6-12(15)20-7-9(11)14(16,17)18;1-5-3-2-4-8-6(5)7/h2*3-11H,1-2H3,(H,24,29)(H2,25,26,27,28);2-7H,1H3,(H,19,22)(H,20,21);2-4H,1H3,(H2,7,8)
InChIKeyAUOCAAMJVMZCNF-UHFFFAOYSA-N
XLogP14.13
TPSA250.81 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001240.64
LogP ≤ 514.13
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N,N,3-trimethylbenzamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N,N,3-trimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide)
CID 159615965
2-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
CID 141455583
3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-4-carboxamide
CID 58155043
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide
CID 58155019
N-methyl-2-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 87259623
2-[[2-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
CID 67076041
2-[[2-[(3-cyano-5-methyl-1H-pyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
CID 67075702
3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide
CID 25071287
N,N-dimethylformamide;N-methyl-3-[[2-[(5-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide
CID 145477974
6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 157463237
3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide;2,2,2-trifluoroacetic acid
CID 117074531
lithium;bis(trimethylsilyl)azanide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;5-fluoropyridin-2-amine;6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridine-3-carboxamide;6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridine-3-carboxamide;3-methylsulfanylpyridin-2-amine
CID 158138843

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);3-methylpyridin-2-amine?
The IUPAC name of 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);3-methylpyridin-2-amine (CID 157235212) is 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);3-methylpyridin-2-amine.
What is the SMILES notation for 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);3-methylpyridin-2-amine?
The canonical SMILES for 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);3-methylpyridin-2-amine is CNC(=O)c1ccccc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ncccc2C)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ncccc2C)ncc1C(F)(F)F.Cc1cccnc1N.
What is the InChIKey of 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);3-methylpyridin-2-amine?
The InChIKey is AUOCAAMJVMZCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H18F3N5O.C14H11ClF3N3O.C6H8N2/c2*1-12-6-5-9-25-18(12)28-17-10-16(14(11-26-17)20(21,22)23)27-15-8-4-3-7-13(15)19(29)24-2;1-19-13(22)8-4-2-3-5-10(8)21-11-6-12(15)20-7-9(11)14(16,17)18;1-5-3-2-4-8-6(5)7/h2*3-11H,1-2H3,(H,24,29)(H2,25,26,27,28);2-7H,1H3,(H,19,22)(H,20,21);2-4H,1H3,(H2,7,8).
What are the key properties of 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);3-methylpyridin-2-amine?
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);3-methylpyridin-2-amine has a molecular weight of 1240.64 g/mol, XLogP of 14.13, 13 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);3-methylpyridin-2-amine is sourced from PubChem (CID 157235212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).