[2-(1,6-dimethylindol-3-yl)-4-pyridinyl]methanamine

C16H17N3 — CID 115114104

IUPAC[2-(1,6-dimethylindol-3-yl)-4-pyridinyl]methanamine
SMILESCc1ccc2c(-c3cc(CN)ccn3)cn(C)c2c1
InChIInChI=1S/C16H17N3/c1-11-3-4-13-14(10-19(2)16(13)7-11)15-8-12(9-17)5-6-18-15/h3-8,10H,9,17H2,1-2H3
InChIKeyYPNBAKRELCOEMV-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.01
Rot. Bonds2

About [2-(1,6-dimethylindol-3-yl)-4-pyridinyl]methanamine

[2-(1,6-dimethylindol-3-yl)-4-pyridinyl]methanamine (PubChem CID 115114104) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is [2-(1,6-dimethylindol-3-yl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(1,6-dimethylindol-3-yl)-4-pyridinyl]methanamine
PubChem CID115114104
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name[2-(1,6-dimethylindol-3-yl)-4-pyridinyl]methanamine
SMILESCc1ccc2c(-c3cc(CN)ccn3)cn(C)c2c1
InChIInChI=1S/C16H17N3/c1-11-3-4-13-14(10-19(2)16(13)7-11)15-8-12(9-17)5-6-18-15/h3-8,10H,9,17H2,1-2H3
InChIKeyYPNBAKRELCOEMV-UHFFFAOYSA-N
XLogP3.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-methylindol-3-yl)-4-pyridinyl]methanamine
CID 115114062
[2-(6-methoxy-1-methylindol-3-yl)-4-pyridinyl]methanamine
CID 115114129
[2-(4-fluoro-1-methylindol-3-yl)-4-pyridinyl]methanamine
CID 115114192
3-(2-tert-butylpyrimidin-4-yl)-1,6-dimethylindole
CID 173339595
2-(6-fluoro-1-methylindol-3-yl)pyridin-4-amine
CID 115114118
[6-(1-methylindol-3-yl)pyrimidin-4-yl]methanamine
CID 116857550
2-(6-hydroxy-1-methylindol-3-yl)pyridine-4-carboxylic acid
CID 115114136
2-(5-bromo-1-methylindol-3-yl)pyridin-4-amine
CID 115114160
[2-(2-fluoro-3-methylphenyl)-4-pyridinyl]methanamine;dihydrochloride
CID 171365578
[2-(2-chlorophenyl)-4-pyridinyl]methanamine
CID 83706166
(1,6-dimethylindol-3-yl)-trimethylsilane
CID 177474758
5-(1,6-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid
CID 115108884

Frequently Asked Questions

What is the IUPAC name of [2-(1,6-dimethylindol-3-yl)-4-pyridinyl]methanamine?
The IUPAC name of [2-(1,6-dimethylindol-3-yl)-4-pyridinyl]methanamine (CID 115114104) is [2-(1,6-dimethylindol-3-yl)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(1,6-dimethylindol-3-yl)-4-pyridinyl]methanamine?
The canonical SMILES for [2-(1,6-dimethylindol-3-yl)-4-pyridinyl]methanamine is Cc1ccc2c(-c3cc(CN)ccn3)cn(C)c2c1.
What is the InChIKey of [2-(1,6-dimethylindol-3-yl)-4-pyridinyl]methanamine?
The InChIKey is YPNBAKRELCOEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11-3-4-13-14(10-19(2)16(13)7-11)15-8-12(9-17)5-6-18-15/h3-8,10H,9,17H2,1-2H3.
What are the key properties of [2-(1,6-dimethylindol-3-yl)-4-pyridinyl]methanamine?
[2-(1,6-dimethylindol-3-yl)-4-pyridinyl]methanamine has a molecular weight of 251.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,6-dimethylindol-3-yl)-4-pyridinyl]methanamine is sourced from PubChem (CID 115114104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).