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

C19H16F6N6O — CID 87259623

IUPACN-methyl-2-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESCNC(=O)c1ccccc1Nc1cc(Nc2cn(C)nc2C(F)(F)F)ncc1C(F)(F)F
InChIInChI=1S/C19H16F6N6O/c1-26-17(32)10-5-3-4-6-12(10)28-13-7-15(27-8-11(13)18(20,21)22)29-14-9-31(2)30-16(14)19(23,24)25/h3-9H,1-2H3,(H,26,32)(H2,27,28,29)
InChIKeyXOXKGDXMTBUJIL-UHFFFAOYSA-N
MW458.37 g/mol
LogP4.70
Rot. Bonds5

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

N-methyl-2-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (PubChem CID 87259623) has the molecular formula C19H16F6N6O and a molecular weight of 458.37 g/mol. Its IUPAC name is N-methyl-2-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-2-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
PubChem CID87259623
Molecular FormulaC19H16F6N6O
Molecular Weight458.37 g/mol
Exact Mass458.13
IUPAC NameN-methyl-2-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESCNC(=O)c1ccccc1Nc1cc(Nc2cn(C)nc2C(F)(F)F)ncc1C(F)(F)F
InChIInChI=1S/C19H16F6N6O/c1-26-17(32)10-5-3-4-6-12(10)28-13-7-15(27-8-11(13)18(20,21)22)29-14-9-31(2)30-16(14)19(23,24)25/h3-9H,1-2H3,(H,26,32)(H2,27,28,29)
InChIKeyXOXKGDXMTBUJIL-UHFFFAOYSA-N
XLogP4.70
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.37
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The IUPAC name of N-methyl-2-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (CID 87259623) is N-methyl-2-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.
What is the SMILES notation for N-methyl-2-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The canonical SMILES for N-methyl-2-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is CNC(=O)c1ccccc1Nc1cc(Nc2cn(C)nc2C(F)(F)F)ncc1C(F)(F)F.
What is the InChIKey of N-methyl-2-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The InChIKey is XOXKGDXMTBUJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N6O/c1-26-17(32)10-5-3-4-6-12(10)28-13-7-15(27-8-11(13)18(20,21)22)29-14-9-31(2)30-16(14)19(23,24)25/h3-9H,1-2H3,(H,26,32)(H2,27,28,29).
What are the key properties of N-methyl-2-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
N-methyl-2-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide has a molecular weight of 458.37 g/mol, XLogP of 4.70, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 87259623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).