N-(2-((3-(dimethylamino)propyl)(methyl)amino)-5-(trifluoromethyl)phenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide

C30H33F3N8O2 — CID 16108999

IUPACN-[2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]benzamide
SMILESCC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N(C)CCCN(C)C)OC3=C(C=CC=N3)C4=NC(=NC=N4)NC
InChIInChI=1S/C30H33F3N8O2/c1-19-9-10-20(16-25(19)43-28-22(8-6-13-35-28)26-36-18-37-29(34-2)39-26)27(42)38-23-17-21(30(31,32)33)11-12-24(23)41(5)15-7-14-40(3)4/h6,8-13,16-18H,7,14-15H2,1-5H3,(H,38,42)(H,34,36,37,39)
InChIKeyTYDADJOKJRXQDT-UHFFFAOYSA-N
MW594.60 g/mol
LogP5.30
Rot. Bonds11

About N-(2-((3-(dimethylamino)propyl)(methyl)amino)-5-(trifluoromethyl)phenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide

N-(2-((3-(dimethylamino)propyl)(methyl)amino)-5-(trifluoromethyl)phenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide (PubChem CID 16108999) has the molecular formula C30H33F3N8O2 and a molecular weight of 594.60 g/mol. Its IUPAC name is N-[2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]benzamide.

Molecular Properties

Compound NameN-(2-((3-(dimethylamino)propyl)(methyl)amino)-5-(trifluoromethyl)phenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide
PubChem CID16108999
Molecular FormulaC30H33F3N8O2
Molecular Weight594.60 g/mol
Exact Mass594.27
IUPAC NameN-[2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]benzamide
SMILESCC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N(C)CCCN(C)C)OC3=C(C=CC=N3)C4=NC(=NC=N4)NC
InChIInChI=1S/C30H33F3N8O2/c1-19-9-10-20(16-25(19)43-28-22(8-6-13-35-28)26-36-18-37-29(34-2)39-26)27(42)38-23-17-21(30(31,32)33)11-12-24(23)41(5)15-7-14-40(3)4/h6,8-13,16-18H,7,14-15H2,1-5H3,(H,38,42)(H,34,36,37,39)
InChIKeyTYDADJOKJRXQDT-UHFFFAOYSA-N
XLogP5.30
TPSA108.00 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms43
Complexity868

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500594.60
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-(2-((3-(dimethylamino)propyl)(methyl)amino)-5-(trifluoromethyl)phenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide with MolForge

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Related Compounds

NG-25
CID 53340664
4-methyl-3-((3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yl)oxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108977
4-Methyl-3-({3-[2-(Methylamino)pyrimidin-4-Yl]pyridin-2-Yl}oxy)-N-[2-Morpholin-4-Yl-5-(Trifluoromethyl)phenyl]benzamide
CID 16040290
N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide
CID 16108981
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108986
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(4-(trifluoromethyl)phenyl)benzamide
CID 16108987
N-(2-methoxy-5-(trifluoromethyl)phenyl)-4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108988
4-methyl-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108989
4-methyl-N-(2-morpholino-5-(trifluoromethyl)phenyl)-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108990
N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108991
4-methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)benzamide
CID 16108995
2-(Methylamino)pyrimidine 57
CID 16108996

Frequently Asked Questions

What is the IUPAC name of N-(2-((3-(dimethylamino)propyl)(methyl)amino)-5-(trifluoromethyl)phenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide?
The IUPAC name of N-(2-((3-(dimethylamino)propyl)(methyl)amino)-5-(trifluoromethyl)phenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide (CID 16108999) is N-[2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]benzamide.
What is the SMILES notation for N-(2-((3-(dimethylamino)propyl)(methyl)amino)-5-(trifluoromethyl)phenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide?
The canonical SMILES for N-(2-((3-(dimethylamino)propyl)(methyl)amino)-5-(trifluoromethyl)phenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide is CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N(C)CCCN(C)C)OC3=C(C=CC=N3)C4=NC(=NC=N4)NC.
What is the InChIKey of N-(2-((3-(dimethylamino)propyl)(methyl)amino)-5-(trifluoromethyl)phenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide?
The InChIKey is TYDADJOKJRXQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F3N8O2/c1-19-9-10-20(16-25(19)43-28-22(8-6-13-35-28)26-36-18-37-29(34-2)39-26)27(42)38-23-17-21(30(31,32)33)11-12-24(23)41(5)15-7-14-40(3)4/h6,8-13,16-18H,7,14-15H2,1-5H3,(H,38,42)(H,34,36,37,39).
What are the key properties of N-(2-((3-(dimethylamino)propyl)(methyl)amino)-5-(trifluoromethyl)phenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide?
N-(2-((3-(dimethylamino)propyl)(methyl)amino)-5-(trifluoromethyl)phenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide has a molecular weight of 594.60 g/mol, XLogP of 5.30, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-((3-(dimethylamino)propyl)(methyl)amino)-5-(trifluoromethyl)phenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide is sourced from PubChem (CID 16108999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).