[4-(3-ethylimidazo[4,5-b]pyridin-2-yl)oxan-4-yl]methanamine

C14H20N4O — CID 115438882

IUPAC[4-(3-ethylimidazo[4,5-b]pyridin-2-yl)oxan-4-yl]methanamine
SMILESCCn1c(C2(CN)CCOCC2)nc2cccnc21
InChIInChI=1S/C14H20N4O/c1-2-18-12-11(4-3-7-16-12)17-13(18)14(10-15)5-8-19-9-6-14/h3-4,7H,2,5-6,8-10,15H2,1H3
InChIKeyRUXMUXLQPASFBP-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.46
Rot. Bonds3

About [4-(3-ethylimidazo[4,5-b]pyridin-2-yl)oxan-4-yl]methanamine

[4-(3-ethylimidazo[4,5-b]pyridin-2-yl)oxan-4-yl]methanamine (PubChem CID 115438882) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is [4-(3-ethylimidazo[4,5-b]pyridin-2-yl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(3-ethylimidazo[4,5-b]pyridin-2-yl)oxan-4-yl]methanamine
PubChem CID115438882
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name[4-(3-ethylimidazo[4,5-b]pyridin-2-yl)oxan-4-yl]methanamine
SMILESCCn1c(C2(CN)CCOCC2)nc2cccnc21
InChIInChI=1S/C14H20N4O/c1-2-18-12-11(4-3-7-16-12)17-13(18)14(10-15)5-8-19-9-6-14/h3-4,7H,2,5-6,8-10,15H2,1H3
InChIKeyRUXMUXLQPASFBP-UHFFFAOYSA-N
XLogP1.46
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-ethylimidazo[4,5-b]pyridin-2-yl)oxan-4-yl]methanamine?
The IUPAC name of [4-(3-ethylimidazo[4,5-b]pyridin-2-yl)oxan-4-yl]methanamine (CID 115438882) is [4-(3-ethylimidazo[4,5-b]pyridin-2-yl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(3-ethylimidazo[4,5-b]pyridin-2-yl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(3-ethylimidazo[4,5-b]pyridin-2-yl)oxan-4-yl]methanamine is CCn1c(C2(CN)CCOCC2)nc2cccnc21.
What is the InChIKey of [4-(3-ethylimidazo[4,5-b]pyridin-2-yl)oxan-4-yl]methanamine?
The InChIKey is RUXMUXLQPASFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-2-18-12-11(4-3-7-16-12)17-13(18)14(10-15)5-8-19-9-6-14/h3-4,7H,2,5-6,8-10,15H2,1H3.
What are the key properties of [4-(3-ethylimidazo[4,5-b]pyridin-2-yl)oxan-4-yl]methanamine?
[4-(3-ethylimidazo[4,5-b]pyridin-2-yl)oxan-4-yl]methanamine has a molecular weight of 260.34 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethylimidazo[4,5-b]pyridin-2-yl)oxan-4-yl]methanamine is sourced from PubChem (CID 115438882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).