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

C21H24N4O2 — CID 109070357

IUPAC1-N-tert-butyl-3-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1cccc(CNC(=O)c2nc(C(=O)NC(C)(C)C)c3ccccn23)c1
InChIInChI=1S/C21H24N4O2/c1-14-8-7-9-15(12-14)13-22-20(27)18-23-17(19(26)24-21(2,3)4)16-10-5-6-11-25(16)18/h5-12H,13H2,1-4H3,(H,22,27)(H,24,26)
InChIKeyRJHVGFDAJNTOKM-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.10
Rot. Bonds4

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

1-N-tert-butyl-3-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109070357) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-N-tert-butyl-3-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-tert-butyl-3-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109070357
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-N-tert-butyl-3-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1cccc(CNC(=O)c2nc(C(=O)NC(C)(C)C)c3ccccn23)c1
InChIInChI=1S/C21H24N4O2/c1-14-8-7-9-15(12-14)13-22-20(27)18-23-17(19(26)24-21(2,3)4)16-10-5-6-11-25(16)18/h5-12H,13H2,1-4H3,(H,22,27)(H,24,26)
InChIKeyRJHVGFDAJNTOKM-UHFFFAOYSA-N
XLogP3.10
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[(3-methylphenyl)methyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065876
1-N-(3-methylphenyl)-3-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070366
1-N-tert-butyl-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070790
3-N-cyclohexyl-1-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068639
3-N-benzyl-1-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070283
3-N-[(4-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070389
1-N-tert-butyl-3-N,3-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070965
1-N-benzyl-3-N-(1-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070223
3-N-[(4-methylphenyl)methyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065877
1-N-(2,5-dimethylphenyl)-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070693
3-N-tert-butyl-1-N-[(2-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070533
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 1-N-tert-butyl-3-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-tert-butyl-3-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109070357) is 1-N-tert-butyl-3-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-tert-butyl-3-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-tert-butyl-3-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide is Cc1cccc(CNC(=O)c2nc(C(=O)NC(C)(C)C)c3ccccn23)c1.
What is the InChIKey of 1-N-tert-butyl-3-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is RJHVGFDAJNTOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-8-7-9-15(12-14)13-22-20(27)18-23-17(19(26)24-21(2,3)4)16-10-5-6-11-25(16)18/h5-12H,13H2,1-4H3,(H,22,27)(H,24,26).
What are the key properties of 1-N-tert-butyl-3-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-tert-butyl-3-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-3-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109070357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).