1-[(5-methyl-3-pyridinyl)methyl]-4-propoxyindole

C18H20N2O — CID 102879190

IUPAC1-[(5-methyl-3-pyridinyl)methyl]-4-propoxyindole
SMILESCCCOc1cccc2c1ccn2Cc1cncc(C)c1
InChIInChI=1S/C18H20N2O/c1-3-9-21-18-6-4-5-17-16(18)7-8-20(17)13-15-10-14(2)11-19-12-15/h4-8,10-12H,3,9,13H2,1-2H3
InChIKeyDKXQSTTVDHNDOU-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.18
Rot. Bonds5

About 1-[(5-methyl-3-pyridinyl)methyl]-4-propoxyindole

1-[(5-methyl-3-pyridinyl)methyl]-4-propoxyindole (PubChem CID 102879190) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[(5-methyl-3-pyridinyl)methyl]-4-propoxyindole.

Molecular Properties

Compound Name1-[(5-methyl-3-pyridinyl)methyl]-4-propoxyindole
PubChem CID102879190
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-[(5-methyl-3-pyridinyl)methyl]-4-propoxyindole
SMILESCCCOc1cccc2c1ccn2Cc1cncc(C)c1
InChIInChI=1S/C18H20N2O/c1-3-9-21-18-6-4-5-17-16(18)7-8-20(17)13-15-10-14(2)11-19-12-15/h4-8,10-12H,3,9,13H2,1-2H3
InChIKeyDKXQSTTVDHNDOU-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

1-[(3-fluorophenyl)methyl]-4-propoxyindole
CID 83166118
4-[(4-propoxyindol-1-yl)methyl]phenol
CID 83166122
1-[(5-methyl-3-pyridinyl)methyl]-5-propoxyindole
CID 102879254
N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]methanamine
CID 102877971
3-methyl-4-[(4-propoxyindol-1-yl)methyl]-1,2,5-oxadiazole
CID 83174184
2-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]ethanamine
CID 102878789
1-[(5-methyl-3-pyridinyl)methyl]indole-4-carbothioamide
CID 107919437
1-[(5-bromo-3-pyridinyl)methyl]-4-methoxyindole
CID 104811345
1-[(2-bromophenyl)methyl]-4-propoxyindole
CID 83166128
4-propoxy-1-(2-propoxyethyl)indole
CID 106458022
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-propoxyindole
CID 83166124
3-(4-propoxyindol-1-yl)propan-1-amine
CID 83163339

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-3-pyridinyl)methyl]-4-propoxyindole?
The IUPAC name of 1-[(5-methyl-3-pyridinyl)methyl]-4-propoxyindole (CID 102879190) is 1-[(5-methyl-3-pyridinyl)methyl]-4-propoxyindole.
What is the SMILES notation for 1-[(5-methyl-3-pyridinyl)methyl]-4-propoxyindole?
The canonical SMILES for 1-[(5-methyl-3-pyridinyl)methyl]-4-propoxyindole is CCCOc1cccc2c1ccn2Cc1cncc(C)c1.
What is the InChIKey of 1-[(5-methyl-3-pyridinyl)methyl]-4-propoxyindole?
The InChIKey is DKXQSTTVDHNDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-9-21-18-6-4-5-17-16(18)7-8-20(17)13-15-10-14(2)11-19-12-15/h4-8,10-12H,3,9,13H2,1-2H3.
What are the key properties of 1-[(5-methyl-3-pyridinyl)methyl]-4-propoxyindole?
1-[(5-methyl-3-pyridinyl)methyl]-4-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]-4-propoxyindole is sourced from PubChem (CID 102879190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).