ethyl 3-methyl-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridine-6-carboxylate

C10H13N3O3 — CID 163748228

IUPACethyl 3-methyl-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridine-6-carboxylate
SMILESCCOC(=O)C1Cc2ncn(C)c2NC1=O
InChIInChI=1S/C10H13N3O3/c1-3-16-10(15)6-4-7-8(12-9(6)14)13(2)5-11-7/h5-6H,3-4H2,1-2H3,(H,12,14)
InChIKeyLNSNVEUTPIPYDZ-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.09
Rot. Bonds2

About ethyl 3-methyl-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridine-6-carboxylate

ethyl 3-methyl-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridine-6-carboxylate (PubChem CID 163748228) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is ethyl 3-methyl-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridine-6-carboxylate
PubChem CID163748228
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Nameethyl 3-methyl-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridine-6-carboxylate
SMILESCCOC(=O)C1Cc2ncn(C)c2NC1=O
InChIInChI=1S/C10H13N3O3/c1-3-16-10(15)6-4-7-8(12-9(6)14)13(2)5-11-7/h5-6H,3-4H2,1-2H3,(H,12,14)
InChIKeyLNSNVEUTPIPYDZ-UHFFFAOYSA-N
XLogP0.09
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 3-methyl-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridine-6-carboxylate (CID 163748228) is ethyl 3-methyl-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridine-6-carboxylate is CCOC(=O)C1Cc2ncn(C)c2NC1=O.
What is the InChIKey of ethyl 3-methyl-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridine-6-carboxylate?
The InChIKey is LNSNVEUTPIPYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-3-16-10(15)6-4-7-8(12-9(6)14)13(2)5-11-7/h5-6H,3-4H2,1-2H3,(H,12,14).
What are the key properties of ethyl 3-methyl-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridine-6-carboxylate?
ethyl 3-methyl-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridine-6-carboxylate has a molecular weight of 223.23 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridine-6-carboxylate is sourced from PubChem (CID 163748228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).