methyl 2-[2-(2,6-difluorophenyl)propanoyl-(6-methyl-2-pyridinyl)amino]acetate

C18H18F2N2O3 — CID 75436498

IUPACmethyl 2-[2-(2,6-difluorophenyl)propanoyl-(6-methyl-2-pyridinyl)amino]acetate
SMILESCOC(=O)CN(C(=O)C(C)c1c(F)cccc1F)c1cccc(C)n1
InChIInChI=1S/C18H18F2N2O3/c1-11-6-4-9-15(21-11)22(10-16(23)25-3)18(24)12(2)17-13(19)7-5-8-14(17)20/h4-9,12H,10H2,1-3H3
InChIKeyCTAMVOGYXUVFDG-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.98
Rot. Bonds5

About methyl 2-[2-(2,6-difluorophenyl)propanoyl-(6-methyl-2-pyridinyl)amino]acetate

methyl 2-[2-(2,6-difluorophenyl)propanoyl-(6-methyl-2-pyridinyl)amino]acetate (PubChem CID 75436498) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is methyl 2-[2-(2,6-difluorophenyl)propanoyl-(6-methyl-2-pyridinyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2,6-difluorophenyl)propanoyl-(6-methyl-2-pyridinyl)amino]acetate
PubChem CID75436498
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Namemethyl 2-[2-(2,6-difluorophenyl)propanoyl-(6-methyl-2-pyridinyl)amino]acetate
SMILESCOC(=O)CN(C(=O)C(C)c1c(F)cccc1F)c1cccc(C)n1
InChIInChI=1S/C18H18F2N2O3/c1-11-6-4-9-15(21-11)22(10-16(23)25-3)18(24)12(2)17-13(19)7-5-8-14(17)20/h4-9,12H,10H2,1-3H3
InChIKeyCTAMVOGYXUVFDG-UHFFFAOYSA-N
XLogP2.98
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2,6-difluorophenyl)propanoyl-(6-methyl-2-pyridinyl)amino]acetate?
The IUPAC name of methyl 2-[2-(2,6-difluorophenyl)propanoyl-(6-methyl-2-pyridinyl)amino]acetate (CID 75436498) is methyl 2-[2-(2,6-difluorophenyl)propanoyl-(6-methyl-2-pyridinyl)amino]acetate.
What is the SMILES notation for methyl 2-[2-(2,6-difluorophenyl)propanoyl-(6-methyl-2-pyridinyl)amino]acetate?
The canonical SMILES for methyl 2-[2-(2,6-difluorophenyl)propanoyl-(6-methyl-2-pyridinyl)amino]acetate is COC(=O)CN(C(=O)C(C)c1c(F)cccc1F)c1cccc(C)n1.
What is the InChIKey of methyl 2-[2-(2,6-difluorophenyl)propanoyl-(6-methyl-2-pyridinyl)amino]acetate?
The InChIKey is CTAMVOGYXUVFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-11-6-4-9-15(21-11)22(10-16(23)25-3)18(24)12(2)17-13(19)7-5-8-14(17)20/h4-9,12H,10H2,1-3H3.
What are the key properties of methyl 2-[2-(2,6-difluorophenyl)propanoyl-(6-methyl-2-pyridinyl)amino]acetate?
methyl 2-[2-(2,6-difluorophenyl)propanoyl-(6-methyl-2-pyridinyl)amino]acetate has a molecular weight of 348.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2,6-difluorophenyl)propanoyl-(6-methyl-2-pyridinyl)amino]acetate is sourced from PubChem (CID 75436498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).