4-methyl-N-[2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline

C16H18N4 — CID 63724669

IUPAC4-methyl-N-[2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline
SMILESCc1ccc(NCCc2nc3nccc(C)c3[nH]2)cc1
InChIInChI=1S/C16H18N4/c1-11-3-5-13(6-4-11)17-10-8-14-19-15-12(2)7-9-18-16(15)20-14/h3-7,9,17H,8,10H2,1-2H3,(H,18,19,20)
InChIKeyJRSDVLNLBJSPGM-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.23
Rot. Bonds4

About 4-methyl-N-[2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline

4-methyl-N-[2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline (PubChem CID 63724669) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-methyl-N-[2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline
PubChem CID63724669
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name4-methyl-N-[2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline
SMILESCc1ccc(NCCc2nc3nccc(C)c3[nH]2)cc1
InChIInChI=1S/C16H18N4/c1-11-3-5-13(6-4-11)17-10-8-14-19-15-12(2)7-9-18-16(15)20-14/h3-7,9,17H,8,10H2,1-2H3,(H,18,19,20)
InChIKeyJRSDVLNLBJSPGM-UHFFFAOYSA-N
XLogP3.23
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline?
The IUPAC name of 4-methyl-N-[2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline (CID 63724669) is 4-methyl-N-[2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline.
What is the SMILES notation for 4-methyl-N-[2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline?
The canonical SMILES for 4-methyl-N-[2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline is Cc1ccc(NCCc2nc3nccc(C)c3[nH]2)cc1.
What is the InChIKey of 4-methyl-N-[2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline?
The InChIKey is JRSDVLNLBJSPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11-3-5-13(6-4-11)17-10-8-14-19-15-12(2)7-9-18-16(15)20-14/h3-7,9,17H,8,10H2,1-2H3,(H,18,19,20).
What are the key properties of 4-methyl-N-[2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline?
4-methyl-N-[2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline has a molecular weight of 266.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline is sourced from PubChem (CID 63724669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).