[2-(6-methoxy-1-methylindol-3-yl)-4-pyridinyl]methanamine

C16H17N3O — CID 115114129

IUPAC[2-(6-methoxy-1-methylindol-3-yl)-4-pyridinyl]methanamine
SMILESCOc1ccc2c(-c3cc(CN)ccn3)cn(C)c2c1
InChIInChI=1S/C16H17N3O/c1-19-10-14(15-7-11(9-17)5-6-18-15)13-4-3-12(20-2)8-16(13)19/h3-8,10H,9,17H2,1-2H3
InChIKeyUVOLUYDFASWWGU-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.71
Rot. Bonds3

About [2-(6-methoxy-1-methylindol-3-yl)-4-pyridinyl]methanamine

[2-(6-methoxy-1-methylindol-3-yl)-4-pyridinyl]methanamine (PubChem CID 115114129) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is [2-(6-methoxy-1-methylindol-3-yl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(6-methoxy-1-methylindol-3-yl)-4-pyridinyl]methanamine
PubChem CID115114129
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name[2-(6-methoxy-1-methylindol-3-yl)-4-pyridinyl]methanamine
SMILESCOc1ccc2c(-c3cc(CN)ccn3)cn(C)c2c1
InChIInChI=1S/C16H17N3O/c1-19-10-14(15-7-11(9-17)5-6-18-15)13-4-3-12(20-2)8-16(13)19/h3-8,10H,9,17H2,1-2H3
InChIKeyUVOLUYDFASWWGU-UHFFFAOYSA-N
XLogP2.71
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(6-methoxy-1-methylindol-3-yl)-4-pyridinyl]methanamine?
The IUPAC name of [2-(6-methoxy-1-methylindol-3-yl)-4-pyridinyl]methanamine (CID 115114129) is [2-(6-methoxy-1-methylindol-3-yl)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(6-methoxy-1-methylindol-3-yl)-4-pyridinyl]methanamine?
The canonical SMILES for [2-(6-methoxy-1-methylindol-3-yl)-4-pyridinyl]methanamine is COc1ccc2c(-c3cc(CN)ccn3)cn(C)c2c1.
What is the InChIKey of [2-(6-methoxy-1-methylindol-3-yl)-4-pyridinyl]methanamine?
The InChIKey is UVOLUYDFASWWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19-10-14(15-7-11(9-17)5-6-18-15)13-4-3-12(20-2)8-16(13)19/h3-8,10H,9,17H2,1-2H3.
What are the key properties of [2-(6-methoxy-1-methylindol-3-yl)-4-pyridinyl]methanamine?
[2-(6-methoxy-1-methylindol-3-yl)-4-pyridinyl]methanamine has a molecular weight of 267.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methoxy-1-methylindol-3-yl)-4-pyridinyl]methanamine is sourced from PubChem (CID 115114129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).