N-[4-[2-[[1-(2-methoxyethyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide

C24H23F3N6O4 — CID 157042027

IUPACN-[4-[2-[[1-(2-methoxyethyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
SMILESCOCCn1cc(C(F)(F)F)cc(Nc2nc3ccc(Oc4ccnc(NC(C)=O)c4)cc3n2C)c1=O
InChIInChI=1S/C24H23F3N6O4/c1-14(34)29-21-12-17(6-7-28-21)37-16-4-5-18-20(11-16)32(2)23(30-18)31-19-10-15(24(25,26)27)13-33(22(19)35)8-9-36-3/h4-7,10-13H,8-9H2,1-3H3,(H,30,31)(H,28,29,34)
InChIKeyWFGLVCDZPSVEHY-UHFFFAOYSA-N
MW516.48 g/mol
LogP4.29
Rot. Bonds8

About N-[4-[2-[[1-(2-methoxyethyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide

N-[4-[2-[[1-(2-methoxyethyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide (PubChem CID 157042027) has the molecular formula C24H23F3N6O4 and a molecular weight of 516.48 g/mol. Its IUPAC name is N-[4-[2-[[1-(2-methoxyethyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[[1-(2-methoxyethyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
PubChem CID157042027
Molecular FormulaC24H23F3N6O4
Molecular Weight516.48 g/mol
Exact Mass516.17
IUPAC NameN-[4-[2-[[1-(2-methoxyethyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
SMILESCOCCn1cc(C(F)(F)F)cc(Nc2nc3ccc(Oc4ccnc(NC(C)=O)c4)cc3n2C)c1=O
InChIInChI=1S/C24H23F3N6O4/c1-14(34)29-21-12-17(6-7-28-21)37-16-4-5-18-20(11-16)32(2)23(30-18)31-19-10-15(24(25,26)27)13-33(22(19)35)8-9-36-3/h4-7,10-13H,8-9H2,1-3H3,(H,30,31)(H,28,29,34)
InChIKeyWFGLVCDZPSVEHY-UHFFFAOYSA-N
XLogP4.29
TPSA112.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.48
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[1-(2-methoxyethyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-[[1-(2-methoxyethyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide (CID 157042027) is N-[4-[2-[[1-(2-methoxyethyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-[[1-(2-methoxyethyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-[[1-(2-methoxyethyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide is COCCn1cc(C(F)(F)F)cc(Nc2nc3ccc(Oc4ccnc(NC(C)=O)c4)cc3n2C)c1=O.
What is the InChIKey of N-[4-[2-[[1-(2-methoxyethyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
The InChIKey is WFGLVCDZPSVEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O4/c1-14(34)29-21-12-17(6-7-28-21)37-16-4-5-18-20(11-16)32(2)23(30-18)31-19-10-15(24(25,26)27)13-33(22(19)35)8-9-36-3/h4-7,10-13H,8-9H2,1-3H3,(H,30,31)(H,28,29,34).
What are the key properties of N-[4-[2-[[1-(2-methoxyethyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
N-[4-[2-[[1-(2-methoxyethyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 516.48 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[1-(2-methoxyethyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 157042027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).