6-[(1S)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C22H29N3O3 — CID 146283838

IUPAC6-[(1S)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCOc1cc(C[C@]2(C)CCN([C@@H](C)c3ccc4c(n3)OCCO4)C2)cc(C)n1
InChIInChI=1S/C22H29N3O3/c1-15-11-17(12-20(23-15)26-4)13-22(3)7-8-25(14-22)16(2)18-5-6-19-21(24-18)28-10-9-27-19/h5-6,11-12,16H,7-10,13-14H2,1-4H3/t16-,22-/m0/s1
InChIKeyVKPALMOIIZWHCH-AOMKIAJQSA-N
MW383.49 g/mol
LogP3.58
Rot. Bonds5

About 6-[(1S)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

6-[(1S)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 146283838) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 6-[(1S)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Name6-[(1S)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID146283838
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name6-[(1S)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCOc1cc(C[C@]2(C)CCN([C@@H](C)c3ccc4c(n3)OCCO4)C2)cc(C)n1
InChIInChI=1S/C22H29N3O3/c1-15-11-17(12-20(23-15)26-4)13-22(3)7-8-25(14-22)16(2)18-5-6-19-21(24-18)28-10-9-27-19/h5-6,11-12,16H,7-10,13-14H2,1-4H3/t16-,22-/m0/s1
InChIKeyVKPALMOIIZWHCH-AOMKIAJQSA-N
XLogP3.58
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of 6-[(1S)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 146283838) is 6-[(1S)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.
What is the SMILES notation for 6-[(1S)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for 6-[(1S)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is COc1cc(C[C@]2(C)CCN([C@@H](C)c3ccc4c(n3)OCCO4)C2)cc(C)n1.
What is the InChIKey of 6-[(1S)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is VKPALMOIIZWHCH-AOMKIAJQSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15-11-17(12-20(23-15)26-4)13-22(3)7-8-25(14-22)16(2)18-5-6-19-21(24-18)28-10-9-27-19/h5-6,11-12,16H,7-10,13-14H2,1-4H3/t16-,22-/m0/s1.
What are the key properties of 6-[(1S)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
6-[(1S)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 383.49 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 146283838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).