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

C24H23F3N6O3 — CID 58155010

IUPACN-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESCNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N3CCOCC3)cn2)ncc1C(F)(F)F
InChIInChI=1S/C24H23F3N6O3/c1-28-22(34)16-4-2-3-5-18(16)31-19-12-21(30-14-17(19)24(25,26)27)32-20-7-6-15(13-29-20)23(35)33-8-10-36-11-9-33/h2-7,12-14H,8-11H2,1H3,(H,28,34)(H2,29,30,31,32)
InChIKeyWVDDMHLEWVESGD-UHFFFAOYSA-N
MW500.48 g/mol
LogP3.81
Rot. Bonds6

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

N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (PubChem CID 58155010) has the molecular formula C24H23F3N6O3 and a molecular weight of 500.48 g/mol. Its IUPAC name is N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
PubChem CID58155010
Molecular FormulaC24H23F3N6O3
Molecular Weight500.48 g/mol
Exact Mass500.18
IUPAC NameN-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESCNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N3CCOCC3)cn2)ncc1C(F)(F)F
InChIInChI=1S/C24H23F3N6O3/c1-28-22(34)16-4-2-3-5-18(16)31-19-12-21(30-14-17(19)24(25,26)27)32-20-7-6-15(13-29-20)23(35)33-8-10-36-11-9-33/h2-7,12-14H,8-11H2,1H3,(H,28,34)(H2,29,30,31,32)
InChIKeyWVDDMHLEWVESGD-UHFFFAOYSA-N
XLogP3.81
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.48
LogP ≤ 53.81
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-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The IUPAC name of N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (CID 58155010) is N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.
What is the SMILES notation for N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The canonical SMILES for N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is CNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N3CCOCC3)cn2)ncc1C(F)(F)F.
What is the InChIKey of N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The InChIKey is WVDDMHLEWVESGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O3/c1-28-22(34)16-4-2-3-5-18(16)31-19-12-21(30-14-17(19)24(25,26)27)32-20-7-6-15(13-29-20)23(35)33-8-10-36-11-9-33/h2-7,12-14H,8-11H2,1H3,(H,28,34)(H2,29,30,31,32).
What are the key properties of N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide has a molecular weight of 500.48 g/mol, XLogP of 3.81, 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-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 58155010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).