5-amino-1,3-diethylimidazo[4,5-b]pyridin-2-one

C10H14N4O — CID 16637057

IUPAC5-amino-1,3-diethylimidazo[4,5-b]pyridin-2-one
SMILESCCn1c(=O)n(CC)c2nc(N)ccc21
InChIInChI=1S/C10H14N4O/c1-3-13-7-5-6-8(11)12-9(7)14(4-2)10(13)15/h5-6H,3-4H2,1-2H3,(H2,11,12)
InChIKeyPMBSMQUYPCFNGS-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.82
Rot. Bonds2

About 5-amino-1,3-diethylimidazo[4,5-b]pyridin-2-one

5-amino-1,3-diethylimidazo[4,5-b]pyridin-2-one (PubChem CID 16637057) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-amino-1,3-diethylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1,3-diethylimidazo[4,5-b]pyridin-2-one
PubChem CID16637057
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name5-amino-1,3-diethylimidazo[4,5-b]pyridin-2-one
SMILESCCn1c(=O)n(CC)c2nc(N)ccc21
InChIInChI=1S/C10H14N4O/c1-3-13-7-5-6-8(11)12-9(7)14(4-2)10(13)15/h5-6H,3-4H2,1-2H3,(H2,11,12)
InChIKeyPMBSMQUYPCFNGS-UHFFFAOYSA-N
XLogP0.82
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1,3-diethylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-amino-1,3-diethylimidazo[4,5-b]pyridin-2-one (CID 16637057) is 5-amino-1,3-diethylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-amino-1,3-diethylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-amino-1,3-diethylimidazo[4,5-b]pyridin-2-one is CCn1c(=O)n(CC)c2nc(N)ccc21.
What is the InChIKey of 5-amino-1,3-diethylimidazo[4,5-b]pyridin-2-one?
The InChIKey is PMBSMQUYPCFNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-3-13-7-5-6-8(11)12-9(7)14(4-2)10(13)15/h5-6H,3-4H2,1-2H3,(H2,11,12).
What are the key properties of 5-amino-1,3-diethylimidazo[4,5-b]pyridin-2-one?
5-amino-1,3-diethylimidazo[4,5-b]pyridin-2-one has a molecular weight of 206.25 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,3-diethylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 16637057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).