N-ethyl-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethanamine

C11H16N4O — CID 65485408

IUPACN-ethyl-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethanamine
SMILESCCNCCc1nc2nc(OC)ccc2[nH]1
InChIInChI=1S/C11H16N4O/c1-3-12-7-6-9-13-8-4-5-10(16-2)15-11(8)14-9/h4-5,12H,3,6-7H2,1-2H3,(H,13,14,15)
InChIKeyXNTFGTRVPZPCRH-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.12
Rot. Bonds5

About N-ethyl-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethanamine

N-ethyl-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethanamine (PubChem CID 65485408) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-ethyl-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethanamine
PubChem CID65485408
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-ethyl-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethanamine
SMILESCCNCCc1nc2nc(OC)ccc2[nH]1
InChIInChI=1S/C11H16N4O/c1-3-12-7-6-9-13-8-4-5-10(16-2)15-11(8)14-9/h4-5,12H,3,6-7H2,1-2H3,(H,13,14,15)
InChIKeyXNTFGTRVPZPCRH-UHFFFAOYSA-N
XLogP1.12
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethanamine?
The IUPAC name of N-ethyl-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethanamine (CID 65485408) is N-ethyl-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethanamine is CCNCCc1nc2nc(OC)ccc2[nH]1.
What is the InChIKey of N-ethyl-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethanamine?
The InChIKey is XNTFGTRVPZPCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-12-7-6-9-13-8-4-5-10(16-2)15-11(8)14-9/h4-5,12H,3,6-7H2,1-2H3,(H,13,14,15).
What are the key properties of N-ethyl-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethanamine?
N-ethyl-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethanamine has a molecular weight of 220.28 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethanamine is sourced from PubChem (CID 65485408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).