6-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-2,3-dihydropyrrol-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C20H23N3O3 — CID 166727424

IUPAC6-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-2,3-dihydropyrrol-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCc1cc(OC2=CN(C(C)c3ccc4c(n3)OCCO4)CC2)cc(C)n1
InChIInChI=1S/C20H23N3O3/c1-13-10-17(11-14(2)21-13)26-16-6-7-23(12-16)15(3)18-4-5-19-20(22-18)25-9-8-24-19/h4-5,10-12,15H,6-9H2,1-3H3
InChIKeyFYJYIAJJCCUXKR-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.55
Rot. Bonds4

About 6-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-2,3-dihydropyrrol-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

6-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-2,3-dihydropyrrol-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 166727424) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 6-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-2,3-dihydropyrrol-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Name6-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-2,3-dihydropyrrol-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID166727424
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name6-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-2,3-dihydropyrrol-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCc1cc(OC2=CN(C(C)c3ccc4c(n3)OCCO4)CC2)cc(C)n1
InChIInChI=1S/C20H23N3O3/c1-13-10-17(11-14(2)21-13)26-16-6-7-23(12-16)15(3)18-4-5-19-20(22-18)25-9-8-24-19/h4-5,10-12,15H,6-9H2,1-3H3
InChIKeyFYJYIAJJCCUXKR-UHFFFAOYSA-N
XLogP3.55
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-2,3-dihydropyrrol-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of 6-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-2,3-dihydropyrrol-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 166727424) is 6-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-2,3-dihydropyrrol-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.
What is the SMILES notation for 6-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-2,3-dihydropyrrol-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for 6-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-2,3-dihydropyrrol-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is Cc1cc(OC2=CN(C(C)c3ccc4c(n3)OCCO4)CC2)cc(C)n1.
What is the InChIKey of 6-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-2,3-dihydropyrrol-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is FYJYIAJJCCUXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-10-17(11-14(2)21-13)26-16-6-7-23(12-16)15(3)18-4-5-19-20(22-18)25-9-8-24-19/h4-5,10-12,15H,6-9H2,1-3H3.
What are the key properties of 6-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-2,3-dihydropyrrol-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
6-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-2,3-dihydropyrrol-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 353.42 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-2,3-dihydropyrrol-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 166727424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).