methyl 5-amino-4-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyridine-2-carboxylate

C18H19F2N3O3 — CID 150983150

IUPACmethyl 5-amino-4-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(N2CCC(Oc3ccc(F)cc3F)CC2)c(N)cn1
InChIInChI=1S/C18H19F2N3O3/c1-25-18(24)15-9-16(14(21)10-22-15)23-6-4-12(5-7-23)26-17-3-2-11(19)8-13(17)20/h2-3,8-10,12H,4-7,21H2,1H3
InChIKeyLQNCEYYHBVIKOR-UHFFFAOYSA-N
MW363.36 g/mol
LogP2.78
Rot. Bonds4

About methyl 5-amino-4-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyridine-2-carboxylate

methyl 5-amino-4-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyridine-2-carboxylate (PubChem CID 150983150) has the molecular formula C18H19F2N3O3 and a molecular weight of 363.36 g/mol. Its IUPAC name is methyl 5-amino-4-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-4-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyridine-2-carboxylate
PubChem CID150983150
Molecular FormulaC18H19F2N3O3
Molecular Weight363.36 g/mol
Exact Mass363.14
IUPAC Namemethyl 5-amino-4-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(N2CCC(Oc3ccc(F)cc3F)CC2)c(N)cn1
InChIInChI=1S/C18H19F2N3O3/c1-25-18(24)15-9-16(14(21)10-22-15)23-6-4-12(5-7-23)26-17-3-2-11(19)8-13(17)20/h2-3,8-10,12H,4-7,21H2,1H3
InChIKeyLQNCEYYHBVIKOR-UHFFFAOYSA-N
XLogP2.78
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-4-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-4-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyridine-2-carboxylate (CID 150983150) is methyl 5-amino-4-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-4-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-4-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyridine-2-carboxylate is COC(=O)c1cc(N2CCC(Oc3ccc(F)cc3F)CC2)c(N)cn1.
What is the InChIKey of methyl 5-amino-4-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyridine-2-carboxylate?
The InChIKey is LQNCEYYHBVIKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3/c1-25-18(24)15-9-16(14(21)10-22-15)23-6-4-12(5-7-23)26-17-3-2-11(19)8-13(17)20/h2-3,8-10,12H,4-7,21H2,1H3.
What are the key properties of methyl 5-amino-4-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyridine-2-carboxylate?
methyl 5-amino-4-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyridine-2-carboxylate has a molecular weight of 363.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-4-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 150983150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).