6-[[3-(2,4-dimethyl-3-pyridinyl)phenyl]methoxy]-2,3-dihydrothieno[3,2-c]pyridine

C21H20N2OS — CID 144792213

IUPAC6-[[3-(2,4-dimethyl-3-pyridinyl)phenyl]methoxy]-2,3-dihydrothieno[3,2-c]pyridine
SMILESCc1ccnc(C)c1-c1cccc(COc2cc3c(cn2)CCS3)c1
InChIInChI=1S/C21H20N2OS/c1-14-6-8-22-15(2)21(14)17-5-3-4-16(10-17)13-24-20-11-19-18(12-23-20)7-9-25-19/h3-6,8,10-12H,7,9,13H2,1-2H3
InChIKeyZMSMZYHXNMUJQC-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.99
Rot. Bonds4

About 6-[[3-(2,4-dimethyl-3-pyridinyl)phenyl]methoxy]-2,3-dihydrothieno[3,2-c]pyridine

6-[[3-(2,4-dimethyl-3-pyridinyl)phenyl]methoxy]-2,3-dihydrothieno[3,2-c]pyridine (PubChem CID 144792213) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is 6-[[3-(2,4-dimethyl-3-pyridinyl)phenyl]methoxy]-2,3-dihydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name6-[[3-(2,4-dimethyl-3-pyridinyl)phenyl]methoxy]-2,3-dihydrothieno[3,2-c]pyridine
PubChem CID144792213
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC Name6-[[3-(2,4-dimethyl-3-pyridinyl)phenyl]methoxy]-2,3-dihydrothieno[3,2-c]pyridine
SMILESCc1ccnc(C)c1-c1cccc(COc2cc3c(cn2)CCS3)c1
InChIInChI=1S/C21H20N2OS/c1-14-6-8-22-15(2)21(14)17-5-3-4-16(10-17)13-24-20-11-19-18(12-23-20)7-9-25-19/h3-6,8,10-12H,7,9,13H2,1-2H3
InChIKeyZMSMZYHXNMUJQC-UHFFFAOYSA-N
XLogP4.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(2,4-dimethyl-3-pyridinyl)phenyl]methoxy]-2,3-dihydrothieno[3,2-c]pyridine?
The IUPAC name of 6-[[3-(2,4-dimethyl-3-pyridinyl)phenyl]methoxy]-2,3-dihydrothieno[3,2-c]pyridine (CID 144792213) is 6-[[3-(2,4-dimethyl-3-pyridinyl)phenyl]methoxy]-2,3-dihydrothieno[3,2-c]pyridine.
What is the SMILES notation for 6-[[3-(2,4-dimethyl-3-pyridinyl)phenyl]methoxy]-2,3-dihydrothieno[3,2-c]pyridine?
The canonical SMILES for 6-[[3-(2,4-dimethyl-3-pyridinyl)phenyl]methoxy]-2,3-dihydrothieno[3,2-c]pyridine is Cc1ccnc(C)c1-c1cccc(COc2cc3c(cn2)CCS3)c1.
What is the InChIKey of 6-[[3-(2,4-dimethyl-3-pyridinyl)phenyl]methoxy]-2,3-dihydrothieno[3,2-c]pyridine?
The InChIKey is ZMSMZYHXNMUJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2OS/c1-14-6-8-22-15(2)21(14)17-5-3-4-16(10-17)13-24-20-11-19-18(12-23-20)7-9-25-19/h3-6,8,10-12H,7,9,13H2,1-2H3.
What are the key properties of 6-[[3-(2,4-dimethyl-3-pyridinyl)phenyl]methoxy]-2,3-dihydrothieno[3,2-c]pyridine?
6-[[3-(2,4-dimethyl-3-pyridinyl)phenyl]methoxy]-2,3-dihydrothieno[3,2-c]pyridine has a molecular weight of 348.47 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(2,4-dimethyl-3-pyridinyl)phenyl]methoxy]-2,3-dihydrothieno[3,2-c]pyridine is sourced from PubChem (CID 144792213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).