3-N-(1,3-benzodioxol-5-yl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C20H20N4O4 — CID 109067235

IUPAC3-N-(1,3-benzodioxol-5-yl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCNC(=O)c1nc(C(=O)Nc2ccc3c(c2)OCO3)n2ccccc12
InChIInChI=1S/C20H20N4O4/c1-2-3-9-21-19(25)17-14-6-4-5-10-24(14)18(23-17)20(26)22-13-7-8-15-16(11-13)28-12-27-15/h4-8,10-11H,2-3,9,12H2,1H3,(H,21,25)(H,22,26)
InChIKeyXHJUPNLFSPCQKY-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.85
Rot. Bonds6

About 3-N-(1,3-benzodioxol-5-yl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-(1,3-benzodioxol-5-yl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109067235) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 3-N-(1,3-benzodioxol-5-yl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(1,3-benzodioxol-5-yl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109067235
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name3-N-(1,3-benzodioxol-5-yl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCNC(=O)c1nc(C(=O)Nc2ccc3c(c2)OCO3)n2ccccc12
InChIInChI=1S/C20H20N4O4/c1-2-3-9-21-19(25)17-14-6-4-5-10-24(14)18(23-17)20(26)22-13-7-8-15-16(11-13)28-12-27-15/h4-8,10-11H,2-3,9,12H2,1H3,(H,21,25)(H,22,26)
InChIKeyXHJUPNLFSPCQKY-UHFFFAOYSA-N
XLogP2.85
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.85
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-butyl-3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067236
1-N-(4-acetylphenyl)-3-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067357
3-N-(4-acetylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071397
1-N-butyl-3-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067130
3-N-(4-chlorophenyl)-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065952
1-N-[3-(dimethylamino)propyl]-3-N-(4-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069806
3-N-(2,6-dimethylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071372
1-N-(3-cyanophenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071458
3-N-butyl-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067318
3-N-(4-ethoxyphenyl)-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065965
3-N-phenyl-1-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071048
1-N-(4-tert-butylphenyl)-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066104

Frequently Asked Questions

What is the IUPAC name of 3-N-(1,3-benzodioxol-5-yl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-(1,3-benzodioxol-5-yl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109067235) is 3-N-(1,3-benzodioxol-5-yl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(1,3-benzodioxol-5-yl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(1,3-benzodioxol-5-yl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCCNC(=O)c1nc(C(=O)Nc2ccc3c(c2)OCO3)n2ccccc12.
What is the InChIKey of 3-N-(1,3-benzodioxol-5-yl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is XHJUPNLFSPCQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-2-3-9-21-19(25)17-14-6-4-5-10-24(14)18(23-17)20(26)22-13-7-8-15-16(11-13)28-12-27-15/h4-8,10-11H,2-3,9,12H2,1H3,(H,21,25)(H,22,26).
What are the key properties of 3-N-(1,3-benzodioxol-5-yl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-(1,3-benzodioxol-5-yl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 380.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1,3-benzodioxol-5-yl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109067235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).