methyl 2-[[5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methylpyridine-2-carbonyl]amino]acetate

C17H17F2N3O3 — CID 53321203

IUPACmethyl 2-[[5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methylpyridine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(-c2ccc(F)cc2F)c(CN)c(C)n1
InChIInChI=1S/C17H17F2N3O3/c1-9-13(7-20)12(11-4-3-10(18)5-14(11)19)6-15(22-9)17(24)21-8-16(23)25-2/h3-6H,7-8,20H2,1-2H3,(H,21,24)
InChIKeyXZNIUQDMIJFEES-UHFFFAOYSA-N
MW349.34 g/mol
LogP1.70
Rot. Bonds5

About methyl 2-[[5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methylpyridine-2-carbonyl]amino]acetate

methyl 2-[[5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methylpyridine-2-carbonyl]amino]acetate (PubChem CID 53321203) has the molecular formula C17H17F2N3O3 and a molecular weight of 349.34 g/mol. Its IUPAC name is methyl 2-[[5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methylpyridine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methylpyridine-2-carbonyl]amino]acetate
PubChem CID53321203
Molecular FormulaC17H17F2N3O3
Molecular Weight349.34 g/mol
Exact Mass349.12
IUPAC Namemethyl 2-[[5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methylpyridine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(-c2ccc(F)cc2F)c(CN)c(C)n1
InChIInChI=1S/C17H17F2N3O3/c1-9-13(7-20)12(11-4-3-10(18)5-14(11)19)6-15(22-9)17(24)21-8-16(23)25-2/h3-6H,7-8,20H2,1-2H3,(H,21,24)
InChIKeyXZNIUQDMIJFEES-UHFFFAOYSA-N
XLogP1.70
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methylpyridine-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methylpyridine-2-carbonyl]amino]acetate (CID 53321203) is methyl 2-[[5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methylpyridine-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methylpyridine-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methylpyridine-2-carbonyl]amino]acetate is COC(=O)CNC(=O)c1cc(-c2ccc(F)cc2F)c(CN)c(C)n1.
What is the InChIKey of methyl 2-[[5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methylpyridine-2-carbonyl]amino]acetate?
The InChIKey is XZNIUQDMIJFEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3/c1-9-13(7-20)12(11-4-3-10(18)5-14(11)19)6-15(22-9)17(24)21-8-16(23)25-2/h3-6H,7-8,20H2,1-2H3,(H,21,24).
What are the key properties of methyl 2-[[5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methylpyridine-2-carbonyl]amino]acetate?
methyl 2-[[5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methylpyridine-2-carbonyl]amino]acetate has a molecular weight of 349.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methylpyridine-2-carbonyl]amino]acetate is sourced from PubChem (CID 53321203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).