3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-N-propan-2-ylpropan-1-amine

C13H20N4 — CID 81137710

IUPAC3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1ccc2[nH]c(CCCNC(C)C)nc2n1
InChIInChI=1S/C13H20N4/c1-9(2)14-8-4-5-12-16-11-7-6-10(3)15-13(11)17-12/h6-7,9,14H,4-5,8H2,1-3H3,(H,15,16,17)
InChIKeyZBVPPSQDDLQXLJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.20
Rot. Bonds5

About 3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-N-propan-2-ylpropan-1-amine

3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 81137710) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-N-propan-2-ylpropan-1-amine
PubChem CID81137710
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1ccc2[nH]c(CCCNC(C)C)nc2n1
InChIInChI=1S/C13H20N4/c1-9(2)14-8-4-5-12-16-11-7-6-10(3)15-13(11)17-12/h6-7,9,14H,4-5,8H2,1-3H3,(H,15,16,17)
InChIKeyZBVPPSQDDLQXLJ-UHFFFAOYSA-N
XLogP2.20
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-N-propan-2-ylpropan-1-amine (CID 81137710) is 3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-N-propan-2-ylpropan-1-amine is Cc1ccc2[nH]c(CCCNC(C)C)nc2n1.
What is the InChIKey of 3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is ZBVPPSQDDLQXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-9(2)14-8-4-5-12-16-11-7-6-10(3)15-13(11)17-12/h6-7,9,14H,4-5,8H2,1-3H3,(H,15,16,17).
What are the key properties of 3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-N-propan-2-ylpropan-1-amine?
3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 232.33 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 81137710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).