1-N-butyl-3-N-tert-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C17H24N4O2 — CID 109067169

IUPAC1-N-butyl-3-N-tert-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCNC(=O)c1nc(C(=O)NC(C)(C)C)n2ccccc12
InChIInChI=1S/C17H24N4O2/c1-5-6-10-18-15(22)13-12-9-7-8-11-21(12)14(19-13)16(23)20-17(2,3)4/h7-9,11H,5-6,10H2,1-4H3,(H,18,22)(H,20,23)
InChIKeyDJHCHGJXZPCRSH-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.39
Rot. Bonds5

About 1-N-butyl-3-N-tert-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-butyl-3-N-tert-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109067169) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-N-butyl-3-N-tert-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-3-N-tert-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109067169
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name1-N-butyl-3-N-tert-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCNC(=O)c1nc(C(=O)NC(C)(C)C)n2ccccc12
InChIInChI=1S/C17H24N4O2/c1-5-6-10-18-15(22)13-12-9-7-8-11-21(12)14(19-13)16(23)20-17(2,3)4/h7-9,11H,5-6,10H2,1-4H3,(H,18,22)(H,20,23)
InChIKeyDJHCHGJXZPCRSH-UHFFFAOYSA-N
XLogP2.39
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.39
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-butyl-3-N-(4-tert-butylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067203
1-N-butyl-3-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067130
1-N-tert-butyl-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070790
3-N-(2-methylpropyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067562
1-N-tert-butyl-3-N,3-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070965
3-N-butyl-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067318
1-N,3-N-dibutyl-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067304
1-N-(2-methylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071416
3-N-(3-acetamidophenyl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067228
1-N-(4-acetylphenyl)-3-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067357
1-N-(3,5-dimethylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071425
3-N-butyl-1-N-ethyl-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067325

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-3-N-tert-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-butyl-3-N-tert-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109067169) is 1-N-butyl-3-N-tert-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-butyl-3-N-tert-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-butyl-3-N-tert-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCCNC(=O)c1nc(C(=O)NC(C)(C)C)n2ccccc12.
What is the InChIKey of 1-N-butyl-3-N-tert-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is DJHCHGJXZPCRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-5-6-10-18-15(22)13-12-9-7-8-11-21(12)14(19-13)16(23)20-17(2,3)4/h7-9,11H,5-6,10H2,1-4H3,(H,18,22)(H,20,23).
What are the key properties of 1-N-butyl-3-N-tert-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-butyl-3-N-tert-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 316.41 g/mol, XLogP of 2.39, 5 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-tert-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109067169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).