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

C21H23N5O3 — CID 109067228

IUPAC3-N-(3-acetamidophenyl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCNC(=O)c1nc(C(=O)Nc2cccc(NC(C)=O)c2)n2ccccc12
InChIInChI=1S/C21H23N5O3/c1-3-4-11-22-20(28)18-17-10-5-6-12-26(17)19(25-18)21(29)24-16-9-7-8-15(13-16)23-14(2)27/h5-10,12-13H,3-4,11H2,1-2H3,(H,22,28)(H,23,27)(H,24,29)
InChIKeyOZGBXSJJXXVARD-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.07
Rot. Bonds7

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

3-N-(3-acetamidophenyl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109067228) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 3-N-(3-acetamidophenyl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-acetamidophenyl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109067228
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name3-N-(3-acetamidophenyl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCNC(=O)c1nc(C(=O)Nc2cccc(NC(C)=O)c2)n2ccccc12
InChIInChI=1S/C21H23N5O3/c1-3-4-11-22-20(28)18-17-10-5-6-12-26(17)19(25-18)21(29)24-16-9-7-8-15(13-16)23-14(2)27/h5-10,12-13H,3-4,11H2,1-2H3,(H,22,28)(H,23,27)(H,24,29)
InChIKeyOZGBXSJJXXVARD-UHFFFAOYSA-N
XLogP3.07
TPSA104.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-butyl-3-N-(4-tert-butylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067203
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
3-N-(1,3-benzodioxol-5-yl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067235
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-(3-cyanophenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071458
3-N-(4-chlorophenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071385
1-N-(3-acetamidophenyl)-3-N-butan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067874
1-N-(3,5-dimethylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071425
1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069795
3-N-(2,6-dimethylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071372
1-N-butyl-3-N-tert-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067169

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-acetamidophenyl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-acetamidophenyl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109067228) is 3-N-(3-acetamidophenyl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-acetamidophenyl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-acetamidophenyl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCCNC(=O)c1nc(C(=O)Nc2cccc(NC(C)=O)c2)n2ccccc12.
What is the InChIKey of 3-N-(3-acetamidophenyl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is OZGBXSJJXXVARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-3-4-11-22-20(28)18-17-10-5-6-12-26(17)19(25-18)21(29)24-16-9-7-8-15(13-16)23-14(2)27/h5-10,12-13H,3-4,11H2,1-2H3,(H,22,28)(H,23,27)(H,24,29).
What are the key properties of 3-N-(3-acetamidophenyl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-(3-acetamidophenyl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 393.45 g/mol, XLogP of 3.07, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-acetamidophenyl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109067228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).