N-methyl-2-[[2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

C21H16F3N5O3 — CID 25070643

IUPACN-methyl-2-[[2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESCNC(=O)c1ccccc1Nc1cc(Nc2ccc3[nH]c(=O)oc3c2)ncc1C(F)(F)F
InChIInChI=1S/C21H16F3N5O3/c1-25-19(30)12-4-2-3-5-14(12)28-16-9-18(26-10-13(16)21(22,23)24)27-11-6-7-15-17(8-11)32-20(31)29-15/h2-10H,1H3,(H,25,30)(H,29,31)(H2,26,27,28)
InChIKeyRWTIPPSQVFIAHD-UHFFFAOYSA-N
MW443.39 g/mol
LogP4.38
Rot. Bonds5

About N-methyl-2-[[2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

N-methyl-2-[[2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (PubChem CID 25070643) has the molecular formula C21H16F3N5O3 and a molecular weight of 443.39 g/mol. Its IUPAC name is N-methyl-2-[[2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-2-[[2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
PubChem CID25070643
Molecular FormulaC21H16F3N5O3
Molecular Weight443.39 g/mol
Exact Mass443.12
IUPAC NameN-methyl-2-[[2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESCNC(=O)c1ccccc1Nc1cc(Nc2ccc3[nH]c(=O)oc3c2)ncc1C(F)(F)F
InChIInChI=1S/C21H16F3N5O3/c1-25-19(30)12-4-2-3-5-14(12)28-16-9-18(26-10-13(16)21(22,23)24)27-11-6-7-15-17(8-11)32-20(31)29-15/h2-10H,1H3,(H,25,30)(H,29,31)(H2,26,27,28)
InChIKeyRWTIPPSQVFIAHD-UHFFFAOYSA-N
XLogP4.38
TPSA112.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.39
LogP ≤ 54.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-methyl-2-[[2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The IUPAC name of N-methyl-2-[[2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (CID 25070643) is N-methyl-2-[[2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.
What is the SMILES notation for N-methyl-2-[[2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The canonical SMILES for N-methyl-2-[[2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is CNC(=O)c1ccccc1Nc1cc(Nc2ccc3[nH]c(=O)oc3c2)ncc1C(F)(F)F.
What is the InChIKey of N-methyl-2-[[2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The InChIKey is RWTIPPSQVFIAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O3/c1-25-19(30)12-4-2-3-5-14(12)28-16-9-18(26-10-13(16)21(22,23)24)27-11-6-7-15-17(8-11)32-20(31)29-15/h2-10H,1H3,(H,25,30)(H,29,31)(H2,26,27,28).
What are the key properties of N-methyl-2-[[2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
N-methyl-2-[[2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide has a molecular weight of 443.39 g/mol, XLogP of 4.38, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 25070643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).