5-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]indole

C17H18N2O2 — CID 116619485

IUPAC5-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]indole
SMILESCOc1cc(C)nc(Cn2ccc3cc(OC)ccc32)c1
InChIInChI=1S/C17H18N2O2/c1-12-8-16(21-3)10-14(18-12)11-19-7-6-13-9-15(20-2)4-5-17(13)19/h4-10H,11H2,1-3H3
InChIKeyPYMRTMNLCXPYLT-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.41
Rot. Bonds4

About 5-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]indole

5-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]indole (PubChem CID 116619485) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]indole.

Molecular Properties

Compound Name5-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]indole
PubChem CID116619485
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name5-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]indole
SMILESCOc1cc(C)nc(Cn2ccc3cc(OC)ccc32)c1
InChIInChI=1S/C17H18N2O2/c1-12-8-16(21-3)10-14(18-12)11-19-7-6-13-9-15(20-2)4-5-17(13)19/h4-10H,11H2,1-3H3
InChIKeyPYMRTMNLCXPYLT-UHFFFAOYSA-N
XLogP3.41
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]indole?
The IUPAC name of 5-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]indole (CID 116619485) is 5-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]indole.
What is the SMILES notation for 5-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]indole?
The canonical SMILES for 5-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]indole is COc1cc(C)nc(Cn2ccc3cc(OC)ccc32)c1.
What is the InChIKey of 5-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]indole?
The InChIKey is PYMRTMNLCXPYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-8-16(21-3)10-14(18-12)11-19-7-6-13-9-15(20-2)4-5-17(13)19/h4-10H,11H2,1-3H3.
What are the key properties of 5-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]indole?
5-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]indole has a molecular weight of 282.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]indole is sourced from PubChem (CID 116619485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).