1-N-butyl-3-N-(4-tert-butylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C23H28N4O2 — CID 109067203

IUPAC1-N-butyl-3-N-(4-tert-butylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCNC(=O)c1nc(C(=O)Nc2ccc(C(C)(C)C)cc2)n2ccccc12
InChIInChI=1S/C23H28N4O2/c1-5-6-14-24-21(28)19-18-9-7-8-15-27(18)20(26-19)22(29)25-17-12-10-16(11-13-17)23(2,3)4/h7-13,15H,5-6,14H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyLQVQWLZQBCXMOE-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.41
Rot. Bonds6

About 1-N-butyl-3-N-(4-tert-butylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-butyl-3-N-(4-tert-butylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109067203) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-N-butyl-3-N-(4-tert-butylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-3-N-(4-tert-butylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109067203
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-N-butyl-3-N-(4-tert-butylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCNC(=O)c1nc(C(=O)Nc2ccc(C(C)(C)C)cc2)n2ccccc12
InChIInChI=1S/C23H28N4O2/c1-5-6-14-24-21(28)19-18-9-7-8-15-27(18)20(26-19)22(29)25-17-12-10-16(11-13-17)23(2,3)4/h7-13,15H,5-6,14H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyLQVQWLZQBCXMOE-UHFFFAOYSA-N
XLogP4.41
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-(4-tert-butylphenyl)-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066104
3-N-(4-chlorophenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071385
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-tert-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067169
3-N-(3-acetamidophenyl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067228
3-N-(4-tert-butylphenyl)-1-N-cyclopropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066574
3-N-(4-chlorophenyl)-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065952
3-N-(4-methoxyphenyl)-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065963
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
3-N-(4-ethoxyphenyl)-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065965

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-3-N-(4-tert-butylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-butyl-3-N-(4-tert-butylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109067203) is 1-N-butyl-3-N-(4-tert-butylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-butyl-3-N-(4-tert-butylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-butyl-3-N-(4-tert-butylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCCNC(=O)c1nc(C(=O)Nc2ccc(C(C)(C)C)cc2)n2ccccc12.
What is the InChIKey of 1-N-butyl-3-N-(4-tert-butylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is LQVQWLZQBCXMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-5-6-14-24-21(28)19-18-9-7-8-15-27(18)20(26-19)22(29)25-17-12-10-16(11-13-17)23(2,3)4/h7-13,15H,5-6,14H2,1-4H3,(H,24,28)(H,25,29).
What are the key properties of 1-N-butyl-3-N-(4-tert-butylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-butyl-3-N-(4-tert-butylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-3-N-(4-tert-butylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109067203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).