2-methyl-4-[2-(6-methylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline

C16H18N4O — CID 82152127

IUPAC2-methyl-4-[2-(6-methylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline
SMILESCc1cnc2c(c1)ncn2CCOc1ccc(N)c(C)c1
InChIInChI=1S/C16H18N4O/c1-11-7-15-16(18-9-11)20(10-19-15)5-6-21-13-3-4-14(17)12(2)8-13/h3-4,7-10H,5-6,17H2,1-2H3
InChIKeyLPHWVOXPPCBCOF-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.71
Rot. Bonds4

About 2-methyl-4-[2-(6-methylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline

2-methyl-4-[2-(6-methylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline (PubChem CID 82152127) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-methyl-4-[2-(6-methylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline.

Molecular Properties

Compound Name2-methyl-4-[2-(6-methylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline
PubChem CID82152127
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-methyl-4-[2-(6-methylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline
SMILESCc1cnc2c(c1)ncn2CCOc1ccc(N)c(C)c1
InChIInChI=1S/C16H18N4O/c1-11-7-15-16(18-9-11)20(10-19-15)5-6-21-13-3-4-14(17)12(2)8-13/h3-4,7-10H,5-6,17H2,1-2H3
InChIKeyLPHWVOXPPCBCOF-UHFFFAOYSA-N
XLogP2.71
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(6-methylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline?
The IUPAC name of 2-methyl-4-[2-(6-methylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline (CID 82152127) is 2-methyl-4-[2-(6-methylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline.
What is the SMILES notation for 2-methyl-4-[2-(6-methylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline?
The canonical SMILES for 2-methyl-4-[2-(6-methylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline is Cc1cnc2c(c1)ncn2CCOc1ccc(N)c(C)c1.
What is the InChIKey of 2-methyl-4-[2-(6-methylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline?
The InChIKey is LPHWVOXPPCBCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-7-15-16(18-9-11)20(10-19-15)5-6-21-13-3-4-14(17)12(2)8-13/h3-4,7-10H,5-6,17H2,1-2H3.
What are the key properties of 2-methyl-4-[2-(6-methylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline?
2-methyl-4-[2-(6-methylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline has a molecular weight of 282.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(6-methylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline is sourced from PubChem (CID 82152127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).