3-N-(furan-2-ylmethyl)-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C17H18N4O4 — CID 109068870

IUPAC3-N-(furan-2-ylmethyl)-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOCCNC(=O)c1nc(C(=O)NCc2ccco2)n2ccccc12
InChIInChI=1S/C17H18N4O4/c1-24-10-7-18-16(22)14-13-6-2-3-8-21(13)15(20-14)17(23)19-11-12-5-4-9-25-12/h2-6,8-9H,7,10-11H2,1H3,(H,18,22)(H,19,23)
InChIKeyKGTMZZUDRCAMRH-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.23
Rot. Bonds7

About 3-N-(furan-2-ylmethyl)-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-(furan-2-ylmethyl)-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109068870) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 3-N-(furan-2-ylmethyl)-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(furan-2-ylmethyl)-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109068870
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name3-N-(furan-2-ylmethyl)-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOCCNC(=O)c1nc(C(=O)NCc2ccco2)n2ccccc12
InChIInChI=1S/C17H18N4O4/c1-24-10-7-18-16(22)14-13-6-2-3-8-21(13)15(20-14)17(23)19-11-12-5-4-9-25-12/h2-6,8-9H,7,10-11H2,1H3,(H,18,22)(H,19,23)
InChIKeyKGTMZZUDRCAMRH-UHFFFAOYSA-N
XLogP1.23
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-N-(furan-2-ylmethyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070128
1-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070124
1-N-[3-(dimethylamino)propyl]-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069770
3-N-(furan-2-ylmethyl)-1-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070210
3-N-(furan-2-ylmethyl)-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070188
1-N-cyclohexyl-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068569
1-N-[(2-chlorophenyl)methyl]-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068997
3-ethyl-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110674625
3-N-benzyl-1-N-(furan-2-ylmethyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070118
1-N-(2-methoxyethyl)-3-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068900
1-N-butan-2-yl-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067644
3-N-(2,4-dimethylphenyl)-1-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070141

Frequently Asked Questions

What is the IUPAC name of 3-N-(furan-2-ylmethyl)-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-(furan-2-ylmethyl)-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109068870) is 3-N-(furan-2-ylmethyl)-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(furan-2-ylmethyl)-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(furan-2-ylmethyl)-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is COCCNC(=O)c1nc(C(=O)NCc2ccco2)n2ccccc12.
What is the InChIKey of 3-N-(furan-2-ylmethyl)-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is KGTMZZUDRCAMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-24-10-7-18-16(22)14-13-6-2-3-8-21(13)15(20-14)17(23)19-11-12-5-4-9-25-12/h2-6,8-9H,7,10-11H2,1H3,(H,18,22)(H,19,23).
What are the key properties of 3-N-(furan-2-ylmethyl)-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-(furan-2-ylmethyl)-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 342.36 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(furan-2-ylmethyl)-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109068870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).