3-N-[(2-methylphenyl)methyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H24N4O2 — CID 109067399

IUPAC3-N-[(2-methylphenyl)methyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1nc(C(=O)NCC(C)C)c2ccccn12
InChIInChI=1S/C21H24N4O2/c1-14(2)12-22-20(26)18-17-10-6-7-11-25(17)19(24-18)21(27)23-13-16-9-5-4-8-15(16)3/h4-11,14H,12-13H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyMMGQJKBEPRPRJL-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.96
Rot. Bonds6

About 3-N-[(2-methylphenyl)methyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-[(2-methylphenyl)methyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109067399) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-N-[(2-methylphenyl)methyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(2-methylphenyl)methyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109067399
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-N-[(2-methylphenyl)methyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1nc(C(=O)NCC(C)C)c2ccccn12
InChIInChI=1S/C21H24N4O2/c1-14(2)12-22-20(26)18-17-10-6-7-11-25(17)19(24-18)21(27)23-13-16-9-5-4-8-15(16)3/h4-11,14H,12-13H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyMMGQJKBEPRPRJL-UHFFFAOYSA-N
XLogP2.96
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070321
3-N-(2-methylphenyl)-1-N-[(2-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070314
1-N-[(2-methylphenyl)methyl]-3-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070302
3-N,3-N-diethyl-1-N-[(2-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070305
1-N-[(4-chlorophenyl)methyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067536
1-N-[(2-fluorophenyl)methyl]-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070474
3-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[(2-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070318
3-N-(2-methylpropyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067562
1-N-(2-ethyl-6-methylphenyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071322
3-N-(2-fluorophenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067464
1-N-(3,4-difluorophenyl)-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067635
3-N-(2-chloro-4,6-dimethylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067474

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2-methylphenyl)methyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-[(2-methylphenyl)methyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109067399) is 3-N-[(2-methylphenyl)methyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(2-methylphenyl)methyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(2-methylphenyl)methyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is Cc1ccccc1CNC(=O)c1nc(C(=O)NCC(C)C)c2ccccn12.
What is the InChIKey of 3-N-[(2-methylphenyl)methyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is MMGQJKBEPRPRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14(2)12-22-20(26)18-17-10-6-7-11-25(17)19(24-18)21(27)23-13-16-9-5-4-8-15(16)3/h4-11,14H,12-13H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of 3-N-[(2-methylphenyl)methyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-[(2-methylphenyl)methyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2-methylphenyl)methyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109067399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).