1-[(5-methyl-3-pyridinyl)methyl]-5-propoxyindole

C18H20N2O — CID 102879254

IUPAC1-[(5-methyl-3-pyridinyl)methyl]-5-propoxyindole
SMILESCCCOc1ccc2c(ccn2Cc2cncc(C)c2)c1
InChIInChI=1S/C18H20N2O/c1-3-8-21-17-4-5-18-16(10-17)6-7-20(18)13-15-9-14(2)11-19-12-15/h4-7,9-12H,3,8,13H2,1-2H3
InChIKeySTPFYHYWPBGUIY-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.18
Rot. Bonds5

About 1-[(5-methyl-3-pyridinyl)methyl]-5-propoxyindole

1-[(5-methyl-3-pyridinyl)methyl]-5-propoxyindole (PubChem CID 102879254) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[(5-methyl-3-pyridinyl)methyl]-5-propoxyindole.

Molecular Properties

Compound Name1-[(5-methyl-3-pyridinyl)methyl]-5-propoxyindole
PubChem CID102879254
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-[(5-methyl-3-pyridinyl)methyl]-5-propoxyindole
SMILESCCCOc1ccc2c(ccn2Cc2cncc(C)c2)c1
InChIInChI=1S/C18H20N2O/c1-3-8-21-17-4-5-18-16(10-17)6-7-20(18)13-15-9-14(2)11-19-12-15/h4-7,9-12H,3,8,13H2,1-2H3
InChIKeySTPFYHYWPBGUIY-UHFFFAOYSA-N
XLogP4.18
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-1-[(5-methyl-3-pyridinyl)methyl]indole
CID 102879209
[1-[(5-methyl-3-pyridinyl)methyl]indol-5-yl]methanol
CID 102912773
1-[(5-methyl-3-pyridinyl)methyl]-4-propoxyindole
CID 102879190
3-[(5-propoxyindol-1-yl)methyl]aniline
CID 80648798
1-[(3-fluorophenyl)methyl]-5-propoxyindole
CID 116625580
2-methyl-5-[(5-propoxyindol-1-yl)methyl]-1,3,4-oxadiazole
CID 116625614
1-[(5-bromo-2-pyridinyl)methyl]-5-propoxyindole
CID 116625540
2-(5-propoxyindol-1-yl)ethanamine
CID 80643088
5-propoxy-1-(thiophen-2-ylmethyl)indole
CID 116625667
1-(2-methylbutyl)-5-propoxyindole
CID 116625570
5-propoxy-1-(2-pyrazol-1-ylethyl)indole
CID 116625600
5-propoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 116625520

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-3-pyridinyl)methyl]-5-propoxyindole?
The IUPAC name of 1-[(5-methyl-3-pyridinyl)methyl]-5-propoxyindole (CID 102879254) is 1-[(5-methyl-3-pyridinyl)methyl]-5-propoxyindole.
What is the SMILES notation for 1-[(5-methyl-3-pyridinyl)methyl]-5-propoxyindole?
The canonical SMILES for 1-[(5-methyl-3-pyridinyl)methyl]-5-propoxyindole is CCCOc1ccc2c(ccn2Cc2cncc(C)c2)c1.
What is the InChIKey of 1-[(5-methyl-3-pyridinyl)methyl]-5-propoxyindole?
The InChIKey is STPFYHYWPBGUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-8-21-17-4-5-18-16(10-17)6-7-20(18)13-15-9-14(2)11-19-12-15/h4-7,9-12H,3,8,13H2,1-2H3.
What are the key properties of 1-[(5-methyl-3-pyridinyl)methyl]-5-propoxyindole?
1-[(5-methyl-3-pyridinyl)methyl]-5-propoxyindole has a molecular weight of 280.37 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-3-pyridinyl)methyl]-5-propoxyindole is sourced from PubChem (CID 102879254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).