N-ethyl-6-[4-(3-fluorophenoxy)piperidin-1-yl]-N-methylpyridine-3-carboxamide

C20H24FN3O2 — CID 70756640

IUPACN-ethyl-6-[4-(3-fluorophenoxy)piperidin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCCN(C)C(=O)c1ccc(N2CCC(Oc3cccc(F)c3)CC2)nc1
InChIInChI=1S/C20H24FN3O2/c1-3-23(2)20(25)15-7-8-19(22-14-15)24-11-9-17(10-12-24)26-18-6-4-5-16(21)13-18/h4-8,13-14,17H,3,9-12H2,1-2H3
InChIKeyQELFMJBYGVMTHL-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.36
Rot. Bonds5

About N-ethyl-6-[4-(3-fluorophenoxy)piperidin-1-yl]-N-methylpyridine-3-carboxamide

N-ethyl-6-[4-(3-fluorophenoxy)piperidin-1-yl]-N-methylpyridine-3-carboxamide (PubChem CID 70756640) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-ethyl-6-[4-(3-fluorophenoxy)piperidin-1-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[4-(3-fluorophenoxy)piperidin-1-yl]-N-methylpyridine-3-carboxamide
PubChem CID70756640
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-ethyl-6-[4-(3-fluorophenoxy)piperidin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCCN(C)C(=O)c1ccc(N2CCC(Oc3cccc(F)c3)CC2)nc1
InChIInChI=1S/C20H24FN3O2/c1-3-23(2)20(25)15-7-8-19(22-14-15)24-11-9-17(10-12-24)26-18-6-4-5-16(21)13-18/h4-8,13-14,17H,3,9-12H2,1-2H3
InChIKeyQELFMJBYGVMTHL-UHFFFAOYSA-N
XLogP3.36
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[4-(3-fluorophenoxy)piperidin-1-yl]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-[4-(3-fluorophenoxy)piperidin-1-yl]-N-methylpyridine-3-carboxamide (CID 70756640) is N-ethyl-6-[4-(3-fluorophenoxy)piperidin-1-yl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[4-(3-fluorophenoxy)piperidin-1-yl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[4-(3-fluorophenoxy)piperidin-1-yl]-N-methylpyridine-3-carboxamide is CCN(C)C(=O)c1ccc(N2CCC(Oc3cccc(F)c3)CC2)nc1.
What is the InChIKey of N-ethyl-6-[4-(3-fluorophenoxy)piperidin-1-yl]-N-methylpyridine-3-carboxamide?
The InChIKey is QELFMJBYGVMTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-3-23(2)20(25)15-7-8-19(22-14-15)24-11-9-17(10-12-24)26-18-6-4-5-16(21)13-18/h4-8,13-14,17H,3,9-12H2,1-2H3.
What are the key properties of N-ethyl-6-[4-(3-fluorophenoxy)piperidin-1-yl]-N-methylpyridine-3-carboxamide?
N-ethyl-6-[4-(3-fluorophenoxy)piperidin-1-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[4-(3-fluorophenoxy)piperidin-1-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 70756640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).