N-methyl-2-[methyl-[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

C25H25F3N6O3 — CID 71063844

IUPACN-methyl-2-[methyl-[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESCNC(=O)c1ccccc1N(C)c1cc(Nc2ccc(C(=O)N3CCOCC3)cn2)ncc1C(F)(F)F
InChIInChI=1S/C25H25F3N6O3/c1-29-23(35)17-5-3-4-6-19(17)33(2)20-13-22(31-15-18(20)25(26,27)28)32-21-8-7-16(14-30-21)24(36)34-9-11-37-12-10-34/h3-8,13-15H,9-12H2,1-2H3,(H,29,35)(H,30,31,32)
InChIKeyYGMXCJOAJIAZBP-UHFFFAOYSA-N
MW514.51 g/mol
LogP3.84
Rot. Bonds6

About N-methyl-2-[methyl-[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

N-methyl-2-[methyl-[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (PubChem CID 71063844) has the molecular formula C25H25F3N6O3 and a molecular weight of 514.51 g/mol. Its IUPAC name is N-methyl-2-[methyl-[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-2-[methyl-[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
PubChem CID71063844
Molecular FormulaC25H25F3N6O3
Molecular Weight514.51 g/mol
Exact Mass514.19
IUPAC NameN-methyl-2-[methyl-[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESCNC(=O)c1ccccc1N(C)c1cc(Nc2ccc(C(=O)N3CCOCC3)cn2)ncc1C(F)(F)F
InChIInChI=1S/C25H25F3N6O3/c1-29-23(35)17-5-3-4-6-19(17)33(2)20-13-22(31-15-18(20)25(26,27)28)32-21-8-7-16(14-30-21)24(36)34-9-11-37-12-10-34/h3-8,13-15H,9-12H2,1-2H3,(H,29,35)(H,30,31,32)
InChIKeyYGMXCJOAJIAZBP-UHFFFAOYSA-N
XLogP3.84
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.51
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl-[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The IUPAC name of N-methyl-2-[methyl-[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (CID 71063844) is N-methyl-2-[methyl-[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.
What is the SMILES notation for N-methyl-2-[methyl-[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The canonical SMILES for N-methyl-2-[methyl-[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is CNC(=O)c1ccccc1N(C)c1cc(Nc2ccc(C(=O)N3CCOCC3)cn2)ncc1C(F)(F)F.
What is the InChIKey of N-methyl-2-[methyl-[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The InChIKey is YGMXCJOAJIAZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N6O3/c1-29-23(35)17-5-3-4-6-19(17)33(2)20-13-22(31-15-18(20)25(26,27)28)32-21-8-7-16(14-30-21)24(36)34-9-11-37-12-10-34/h3-8,13-15H,9-12H2,1-2H3,(H,29,35)(H,30,31,32).
What are the key properties of N-methyl-2-[methyl-[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
N-methyl-2-[methyl-[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide has a molecular weight of 514.51 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl-[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 71063844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).