N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

C23H23F3N6O2 — CID 25071905

IUPACN-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESCNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cn2)ncc1C(F)(F)F
InChIInChI=1S/C23H23F3N6O2/c1-27-22(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/h2-7,12-14H,8-11H2,1H3,(H,27,33)(H2,28,29,30,31)
InChIKeyRYTYBWPDHDOTSP-UHFFFAOYSA-N
MW472.47 g/mol
LogP4.18
Rot. Bonds6

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

N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (PubChem CID 25071905) has the molecular formula C23H23F3N6O2 and a molecular weight of 472.47 g/mol. Its IUPAC name is N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
PubChem CID25071905
Molecular FormulaC23H23F3N6O2
Molecular Weight472.47 g/mol
Exact Mass472.18
IUPAC NameN-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESCNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cn2)ncc1C(F)(F)F
InChIInChI=1S/C23H23F3N6O2/c1-27-22(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/h2-7,12-14H,8-11H2,1H3,(H,27,33)(H2,28,29,30,31)
InChIKeyRYTYBWPDHDOTSP-UHFFFAOYSA-N
XLogP4.18
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The IUPAC name of N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (CID 25071905) is N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.
What is the SMILES notation for N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The canonical SMILES for N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cn2)ncc1C(F)(F)F.
What is the InChIKey of N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The InChIKey is RYTYBWPDHDOTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6O2/c1-27-22(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/h2-7,12-14H,8-11H2,1H3,(H,27,33)(H2,28,29,30,31).
What are the key properties of N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide has a molecular weight of 472.47 g/mol, XLogP of 4.18, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 25071905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).