6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C21H26FN3O3 — CID 162464297

IUPAC6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCc1cc(OC[C@@H]2CCN(C(C)c3nc4c(cc3F)OCCO4)C2)cc(C)n1
InChIInChI=1S/C21H26FN3O3/c1-13-8-17(9-14(2)23-13)28-12-16-4-5-25(11-16)15(3)20-18(22)10-19-21(24-20)27-7-6-26-19/h8-10,15-16H,4-7,11-12H2,1-3H3/t15?,16-/m1/s1
InChIKeyHNWGDJGXQMBOQK-OEMAIJDKSA-N
MW387.46 g/mol
LogP3.47
Rot. Bonds5

About 6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 162464297) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is 6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Name6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID162464297
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCc1cc(OC[C@@H]2CCN(C(C)c3nc4c(cc3F)OCCO4)C2)cc(C)n1
InChIInChI=1S/C21H26FN3O3/c1-13-8-17(9-14(2)23-13)28-12-16-4-5-25(11-16)15(3)20-18(22)10-19-21(24-20)27-7-6-26-19/h8-10,15-16H,4-7,11-12H2,1-3H3/t15?,16-/m1/s1
InChIKeyHNWGDJGXQMBOQK-OEMAIJDKSA-N
XLogP3.47
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine with MolForge

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Related Compounds

6-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 162464302
6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 162464304
6-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 162468296
6-[1-[(3R)-3-(2,6-dimethyl-4-pyridinyl)piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146286128
6-[(1R)-1-[(3S)-3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 153376532
5-fluoro-6-[(1R)-1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine
CID 146283789
4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrrolidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146283801
5-fluoro-6-[(1S)-1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine;methane;sulfane
CID 159062093
7-fluoro-6-[1-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146287093
N-[1-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]-6-methylpyridin-3-amine
CID 146287207
2-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazine
CID 146283723
4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methoxy-6-methylpyridine
CID 146283795

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of 6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 162464297) is 6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.
What is the SMILES notation for 6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for 6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is Cc1cc(OC[C@@H]2CCN(C(C)c3nc4c(cc3F)OCCO4)C2)cc(C)n1.
What is the InChIKey of 6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is HNWGDJGXQMBOQK-OEMAIJDKSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-13-8-17(9-14(2)23-13)28-12-16-4-5-25(11-16)15(3)20-18(22)10-19-21(24-20)27-7-6-26-19/h8-10,15-16H,4-7,11-12H2,1-3H3/t15?,16-/m1/s1.
What are the key properties of 6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 387.46 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 162464297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).