5-methoxy-1-[(5-methyl-3-pyridinyl)methyl]indole

C16H16N2O — CID 102879209

IUPAC5-methoxy-1-[(5-methyl-3-pyridinyl)methyl]indole
SMILESCOc1ccc2c(ccn2Cc2cncc(C)c2)c1
InChIInChI=1S/C16H16N2O/c1-12-7-13(10-17-9-12)11-18-6-5-14-8-15(19-2)3-4-16(14)18/h3-10H,11H2,1-2H3
InChIKeyPYGDHEAJQXODRL-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.40
Rot. Bonds3

About 5-methoxy-1-[(5-methyl-3-pyridinyl)methyl]indole

5-methoxy-1-[(5-methyl-3-pyridinyl)methyl]indole (PubChem CID 102879209) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-methoxy-1-[(5-methyl-3-pyridinyl)methyl]indole.

Molecular Properties

Compound Name5-methoxy-1-[(5-methyl-3-pyridinyl)methyl]indole
PubChem CID102879209
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name5-methoxy-1-[(5-methyl-3-pyridinyl)methyl]indole
SMILESCOc1ccc2c(ccn2Cc2cncc(C)c2)c1
InChIInChI=1S/C16H16N2O/c1-12-7-13(10-17-9-12)11-18-6-5-14-8-15(19-2)3-4-16(14)18/h3-10H,11H2,1-2H3
InChIKeyPYGDHEAJQXODRL-UHFFFAOYSA-N
XLogP3.40
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-methyl-3-pyridinyl)methyl]-5-propoxyindole
CID 102879254
[1-[(5-methyl-3-pyridinyl)methyl]indol-5-yl]methanol
CID 102912773
5-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]indole
CID 116619485
[4-[(5-methoxyindol-1-yl)methyl]phenoxy]boronic acid
CID 169006286
2-[(5-methoxyindol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
CID 113422630
5-methyl-1-(pyridin-3-ylmethyl)indole
CID 116622934
2-bromo-5-[(5-methoxyindol-1-yl)methyl]aniline
CID 115557310
5-[(5-methoxyindol-1-yl)methyl]-1,2-oxazole
CID 116619426
1-[(2-bromo-5-methoxyphenyl)methyl]-5-methylindole
CID 116622881
5-methoxy-1-[(3-nitrophenyl)methyl]indole
CID 116619348
N-[(5-methoxyindol-1-yl)methyl]-N-propan-2-ylpropan-2-amine
CID 46704016
[2-[(5-methoxyindol-1-yl)methyl]phenyl]methanamine
CID 43329869

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[(5-methyl-3-pyridinyl)methyl]indole?
The IUPAC name of 5-methoxy-1-[(5-methyl-3-pyridinyl)methyl]indole (CID 102879209) is 5-methoxy-1-[(5-methyl-3-pyridinyl)methyl]indole.
What is the SMILES notation for 5-methoxy-1-[(5-methyl-3-pyridinyl)methyl]indole?
The canonical SMILES for 5-methoxy-1-[(5-methyl-3-pyridinyl)methyl]indole is COc1ccc2c(ccn2Cc2cncc(C)c2)c1.
What is the InChIKey of 5-methoxy-1-[(5-methyl-3-pyridinyl)methyl]indole?
The InChIKey is PYGDHEAJQXODRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12-7-13(10-17-9-12)11-18-6-5-14-8-15(19-2)3-4-16(14)18/h3-10H,11H2,1-2H3.
What are the key properties of 5-methoxy-1-[(5-methyl-3-pyridinyl)methyl]indole?
5-methoxy-1-[(5-methyl-3-pyridinyl)methyl]indole has a molecular weight of 252.32 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[(5-methyl-3-pyridinyl)methyl]indole is sourced from PubChem (CID 102879209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).