2-[2-(6-methyl-3,4-dihydropyridin-5-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine

C19H22N2O — CID 91125109

IUPAC2-[2-(6-methyl-3,4-dihydropyridin-5-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine
SMILESCC1=C(CCN2CCc3oc4ccccc4c3C2)CCC=N1
InChIInChI=1S/C19H22N2O/c1-14-15(5-4-10-20-14)8-11-21-12-9-19-17(13-21)16-6-2-3-7-18(16)22-19/h2-3,6-7,10H,4-5,8-9,11-13H2,1H3
InChIKeyLPTYFPNDFRNMFF-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.32
Rot. Bonds3

About 2-[2-(6-methyl-3,4-dihydropyridin-5-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine

2-[2-(6-methyl-3,4-dihydropyridin-5-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine (PubChem CID 91125109) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[2-(6-methyl-3,4-dihydropyridin-5-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name2-[2-(6-methyl-3,4-dihydropyridin-5-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine
PubChem CID91125109
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-[2-(6-methyl-3,4-dihydropyridin-5-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine
SMILESCC1=C(CCN2CCc3oc4ccccc4c3C2)CCC=N1
InChIInChI=1S/C19H22N2O/c1-14-15(5-4-10-20-14)8-11-21-12-9-19-17(13-21)16-6-2-3-7-18(16)22-19/h2-3,6-7,10H,4-5,8-9,11-13H2,1H3
InChIKeyLPTYFPNDFRNMFF-UHFFFAOYSA-N
XLogP4.32
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methyl-3,4-dihydropyridin-5-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 2-[2-(6-methyl-3,4-dihydropyridin-5-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine (CID 91125109) is 2-[2-(6-methyl-3,4-dihydropyridin-5-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 2-[2-(6-methyl-3,4-dihydropyridin-5-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 2-[2-(6-methyl-3,4-dihydropyridin-5-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine is CC1=C(CCN2CCc3oc4ccccc4c3C2)CCC=N1.
What is the InChIKey of 2-[2-(6-methyl-3,4-dihydropyridin-5-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine?
The InChIKey is LPTYFPNDFRNMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-15(5-4-10-20-14)8-11-21-12-9-19-17(13-21)16-6-2-3-7-18(16)22-19/h2-3,6-7,10H,4-5,8-9,11-13H2,1H3.
What are the key properties of 2-[2-(6-methyl-3,4-dihydropyridin-5-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine?
2-[2-(6-methyl-3,4-dihydropyridin-5-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine has a molecular weight of 294.40 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methyl-3,4-dihydropyridin-5-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 91125109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).