3-[2-(4-methoxyphenyl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine

C16H18N4O — CID 79279800

IUPAC3-[2-(4-methoxyphenyl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine
SMILESCOc1ccc(CCn2c(N)nc3cc(C)cnc32)cc1
InChIInChI=1S/C16H18N4O/c1-11-9-14-15(18-10-11)20(16(17)19-14)8-7-12-3-5-13(21-2)6-4-12/h3-6,9-10H,7-8H2,1-2H3,(H2,17,19)
InChIKeyIKTNMYSAAGEQDC-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.57
Rot. Bonds4

About 3-[2-(4-methoxyphenyl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine

3-[2-(4-methoxyphenyl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 79279800) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID79279800
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name3-[2-(4-methoxyphenyl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine
SMILESCOc1ccc(CCn2c(N)nc3cc(C)cnc32)cc1
InChIInChI=1S/C16H18N4O/c1-11-9-14-15(18-10-11)20(16(17)19-14)8-7-12-3-5-13(21-2)6-4-12/h3-6,9-10H,7-8H2,1-2H3,(H2,17,19)
InChIKeyIKTNMYSAAGEQDC-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine (CID 79279800) is 3-[2-(4-methoxyphenyl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-[2-(4-methoxyphenyl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine is COc1ccc(CCn2c(N)nc3cc(C)cnc32)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is IKTNMYSAAGEQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-9-14-15(18-10-11)20(16(17)19-14)8-7-12-3-5-13(21-2)6-4-12/h3-6,9-10H,7-8H2,1-2H3,(H2,17,19).
What are the key properties of 3-[2-(4-methoxyphenyl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine?
3-[2-(4-methoxyphenyl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 282.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79279800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).