2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide

C15H22FN3O2 — CID 70750386

IUPAC2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide
SMILESCCc1nc(C)ccc1OCC(=O)NC[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C15H22FN3O2/c1-3-13-14(5-4-10(2)19-13)21-9-15(20)18-8-12-6-11(16)7-17-12/h4-5,11-12,17H,3,6-9H2,1-2H3,(H,18,20)/t11-,12-/m0/s1
InChIKeyREHFXVVRDMSGFV-RYUDHWBXSA-N
MW295.36 g/mol
LogP1.15
Rot. Bonds6

About 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide

2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide (PubChem CID 70750386) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide
PubChem CID70750386
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide
SMILESCCc1nc(C)ccc1OCC(=O)NC[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C15H22FN3O2/c1-3-13-14(5-4-10(2)19-13)21-9-15(20)18-8-12-6-11(16)7-17-12/h4-5,11-12,17H,3,6-9H2,1-2H3,(H,18,20)/t11-,12-/m0/s1
InChIKeyREHFXVVRDMSGFV-RYUDHWBXSA-N
XLogP1.15
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide (CID 70750386) is 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide is CCc1nc(C)ccc1OCC(=O)NC[C@@H]1C[C@H](F)CN1.
What is the InChIKey of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide?
The InChIKey is REHFXVVRDMSGFV-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-3-13-14(5-4-10(2)19-13)21-9-15(20)18-8-12-6-11(16)7-17-12/h4-5,11-12,17H,3,6-9H2,1-2H3,(H,18,20)/t11-,12-/m0/s1.
What are the key properties of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide?
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide has a molecular weight of 295.36 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 70750386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).