2-[[2-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide

C20H21F3N6O — CID 67076041

IUPAC2-[[2-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
SMILESCCc1n[nH]c(C)c1Nc1cc(Nc2ccccc2C(=O)NC)c(C(F)(F)F)cn1
InChIInChI=1S/C20H21F3N6O/c1-4-14-18(11(2)28-29-14)27-17-9-16(13(10-25-17)20(21,22)23)26-15-8-6-5-7-12(15)19(30)24-3/h5-10H,4H2,1-3H3,(H,24,30)(H,28,29)(H2,25,26,27)
InChIKeyDQABPZKDANEAHQ-UHFFFAOYSA-N
MW418.42 g/mol
LogP4.54
Rot. Bonds6

About 2-[[2-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide

2-[[2-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide (PubChem CID 67076041) has the molecular formula C20H21F3N6O and a molecular weight of 418.42 g/mol. Its IUPAC name is 2-[[2-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[2-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
PubChem CID67076041
Molecular FormulaC20H21F3N6O
Molecular Weight418.42 g/mol
Exact Mass418.17
IUPAC Name2-[[2-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
SMILESCCc1n[nH]c(C)c1Nc1cc(Nc2ccccc2C(=O)NC)c(C(F)(F)F)cn1
InChIInChI=1S/C20H21F3N6O/c1-4-14-18(11(2)28-29-14)27-17-9-16(13(10-25-17)20(21,22)23)26-15-8-6-5-7-12(15)19(30)24-3/h5-10H,4H2,1-3H3,(H,24,30)(H,28,29)(H2,25,26,27)
InChIKeyDQABPZKDANEAHQ-UHFFFAOYSA-N
XLogP4.54
TPSA94.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 54.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide with MolForge

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Related Compounds

2-[[2-[(3-cyano-5-methyl-1H-pyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
CID 67075702
2-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
CID 141455583
N-methyl-2-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 87259623
3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide
CID 25071287
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
3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide;2,2,2-trifluoroacetic acid
CID 117074531
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
N-methyl-4-[2-(methylcarbamoyl)anilino]-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 118473468
N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;bis(2,2,2-trifluoroacetic acid)
CID 117075706
2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2,2,2-trifluoroacetic acid
CID 131865374
2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N,5-dimethylbenzamide
CID 44537931
N-methyl-2-[[2-[[3-(2,2,2-trifluoroethyl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 139576149

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[2-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide (CID 67076041) is 2-[[2-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[2-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[2-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide is CCc1n[nH]c(C)c1Nc1cc(Nc2ccccc2C(=O)NC)c(C(F)(F)F)cn1.
What is the InChIKey of 2-[[2-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide?
The InChIKey is DQABPZKDANEAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O/c1-4-14-18(11(2)28-29-14)27-17-9-16(13(10-25-17)20(21,22)23)26-15-8-6-5-7-12(15)19(30)24-3/h5-10H,4H2,1-3H3,(H,24,30)(H,28,29)(H2,25,26,27).
What are the key properties of 2-[[2-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide?
2-[[2-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide has a molecular weight of 418.42 g/mol, XLogP of 4.54, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide is sourced from PubChem (CID 67076041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).