3-N-ethyl-1-N-(2-methoxyethyl)-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C20H22N4O3 — CID 109068926

IUPAC3-N-ethyl-1-N-(2-methoxyethyl)-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCN(C(=O)c1nc(C(=O)NCCOC)c2ccccn12)c1ccccc1
InChIInChI=1S/C20H22N4O3/c1-3-23(15-9-5-4-6-10-15)20(26)18-22-17(19(25)21-12-14-27-2)16-11-7-8-13-24(16)18/h4-11,13H,3,12,14H2,1-2H3,(H,21,25)
InChIKeyJHZJKGDWZSNQJY-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.38
Rot. Bonds7

About 3-N-ethyl-1-N-(2-methoxyethyl)-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-ethyl-1-N-(2-methoxyethyl)-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109068926) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-N-ethyl-1-N-(2-methoxyethyl)-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-ethyl-1-N-(2-methoxyethyl)-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109068926
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name3-N-ethyl-1-N-(2-methoxyethyl)-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCN(C(=O)c1nc(C(=O)NCCOC)c2ccccn12)c1ccccc1
InChIInChI=1S/C20H22N4O3/c1-3-23(15-9-5-4-6-10-15)20(26)18-22-17(19(25)21-12-14-27-2)16-11-7-8-13-24(16)18/h4-11,13H,3,12,14H2,1-2H3,(H,21,25)
InChIKeyJHZJKGDWZSNQJY-UHFFFAOYSA-N
XLogP2.38
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-N-ethyl-1-N-(2-methylphenyl)-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071878
3-N-ethyl-1-N-(4-methylphenyl)-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071956
3-N-butyl-1-N-ethyl-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067325
3-N-ethyl-3-N-phenyl-1-N,1-N-dipropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071679
3-N-butan-2-yl-1-N-ethyl-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067841
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
N-(2-methoxyethyl)-3-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110647551
3-N-benzyl-1-N-(3-methoxypropyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069112
3-N-(4-ethylphenyl)-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068925
3-N-methyl-1-N-pentyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071365
3-N-[2-(2-fluorophenyl)ethyl]-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068890

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-N-(2-methoxyethyl)-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-ethyl-1-N-(2-methoxyethyl)-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109068926) is 3-N-ethyl-1-N-(2-methoxyethyl)-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-ethyl-1-N-(2-methoxyethyl)-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-ethyl-1-N-(2-methoxyethyl)-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCN(C(=O)c1nc(C(=O)NCCOC)c2ccccn12)c1ccccc1.
What is the InChIKey of 3-N-ethyl-1-N-(2-methoxyethyl)-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is JHZJKGDWZSNQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-3-23(15-9-5-4-6-10-15)20(26)18-22-17(19(25)21-12-14-27-2)16-11-7-8-13-24(16)18/h4-11,13H,3,12,14H2,1-2H3,(H,21,25).
What are the key properties of 3-N-ethyl-1-N-(2-methoxyethyl)-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-ethyl-1-N-(2-methoxyethyl)-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-N-(2-methoxyethyl)-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109068926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).