N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide

C25H26F3N5O3 — CID 66957852

IUPACN-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide
SMILESCOc1cc(N2CCOCC2)ccc1Nc1cc(Nc2ccccc2NC(C)=O)c(C(F)(F)F)cn1
InChIInChI=1S/C25H26F3N5O3/c1-16(34)30-19-5-3-4-6-20(19)31-22-14-24(29-15-18(22)25(26,27)28)32-21-8-7-17(13-23(21)35-2)33-9-11-36-12-10-33/h3-8,13-15H,9-12H2,1-2H3,(H,30,34)(H2,29,31,32)
InChIKeyLYSUPYRJFGDDOD-UHFFFAOYSA-N
MW501.51 g/mol
LogP5.39
Rot. Bonds7

About N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide

N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide (PubChem CID 66957852) has the molecular formula C25H26F3N5O3 and a molecular weight of 501.51 g/mol. Its IUPAC name is N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide
PubChem CID66957852
Molecular FormulaC25H26F3N5O3
Molecular Weight501.51 g/mol
Exact Mass501.20
IUPAC NameN-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide
SMILESCOc1cc(N2CCOCC2)ccc1Nc1cc(Nc2ccccc2NC(C)=O)c(C(F)(F)F)cn1
InChIInChI=1S/C25H26F3N5O3/c1-16(34)30-19-5-3-4-6-20(19)31-22-14-24(29-15-18(22)25(26,27)28)32-21-8-7-17(13-23(21)35-2)33-9-11-36-12-10-33/h3-8,13-15H,9-12H2,1-2H3,(H,30,34)(H2,29,31,32)
InChIKeyLYSUPYRJFGDDOD-UHFFFAOYSA-N
XLogP5.39
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.51
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide?
The IUPAC name of N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide (CID 66957852) is N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide?
The canonical SMILES for N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide is COc1cc(N2CCOCC2)ccc1Nc1cc(Nc2ccccc2NC(C)=O)c(C(F)(F)F)cn1.
What is the InChIKey of N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide?
The InChIKey is LYSUPYRJFGDDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O3/c1-16(34)30-19-5-3-4-6-20(19)31-22-14-24(29-15-18(22)25(26,27)28)32-21-8-7-17(13-23(21)35-2)33-9-11-36-12-10-33/h3-8,13-15H,9-12H2,1-2H3,(H,30,34)(H2,29,31,32).
What are the key properties of N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide?
N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide has a molecular weight of 501.51 g/mol, XLogP of 5.39, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide is sourced from PubChem (CID 66957852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).