3-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride

C16H19ClN4O — CID 45259713

IUPAC3-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride
SMILESCNCCCOc1ccccc1-c1nc2ncccc2[nH]1.Cl
InChIInChI=1S/C16H18N4O.ClH/c1-17-9-5-11-21-14-8-3-2-6-12(14)15-19-13-7-4-10-18-16(13)20-15;/h2-4,6-8,10,17H,5,9,11H2,1H3,(H,18,19,20);1H
InChIKeyMQIPAZHFTDBGFD-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.04
Rot. Bonds6

About 3-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride

3-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride (PubChem CID 45259713) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 3-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride
PubChem CID45259713
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name3-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride
SMILESCNCCCOc1ccccc1-c1nc2ncccc2[nH]1.Cl
InChIInChI=1S/C16H18N4O.ClH/c1-17-9-5-11-21-14-8-3-2-6-12(14)15-19-13-7-4-10-18-16(13)20-15;/h2-4,6-8,10,17H,5,9,11H2,1H3,(H,18,19,20);1H
InChIKeyMQIPAZHFTDBGFD-UHFFFAOYSA-N
XLogP3.04
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.04
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 3-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride?
The IUPAC name of 3-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride (CID 45259713) is 3-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride is CNCCCOc1ccccc1-c1nc2ncccc2[nH]1.Cl.
What is the InChIKey of 3-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride?
The InChIKey is MQIPAZHFTDBGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O.ClH/c1-17-9-5-11-21-14-8-3-2-6-12(14)15-19-13-7-4-10-18-16(13)20-15;/h2-4,6-8,10,17H,5,9,11H2,1H3,(H,18,19,20);1H.
What are the key properties of 3-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride?
3-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride has a molecular weight of 318.81 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 45259713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).