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

C21H24N4O2 — CID 109071524

IUPAC3-N-butyl-3-N-methyl-1-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1nc(C(=O)Nc2cccc(C)c2)c2ccccn12
InChIInChI=1S/C21H24N4O2/c1-4-5-12-24(3)21(27)19-23-18(17-11-6-7-13-25(17)19)20(26)22-16-10-8-9-15(2)14-16/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,26)
InChIKeyBBCOVQRAIHTDLZ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.77
Rot. Bonds6

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

3-N-butyl-3-N-methyl-1-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109071524) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-N-butyl-3-N-methyl-1-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-butyl-3-N-methyl-1-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109071524
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-N-butyl-3-N-methyl-1-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1nc(C(=O)Nc2cccc(C)c2)c2ccccn12
InChIInChI=1S/C21H24N4O2/c1-4-5-12-24(3)21(27)19-23-18(17-11-6-7-13-25(17)19)20(26)22-16-10-8-9-15(2)14-16/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,26)
InChIKeyBBCOVQRAIHTDLZ-UHFFFAOYSA-N
XLogP3.77
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-butyl-1-N-(2,4-dimethylphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071529
1-N-butyl-3-N-(3,5-dimethylphenyl)-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071479
3-N-butyl-1-N-(4-ethylphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071536
3-N-butyl-1-N-(4-ethoxyphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071555
1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069795
3-N-butyl-1-N-(2-fluorophenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071542
3-N-(3-methylphenyl)-1-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071926
1-N-(3-methylphenyl)-3-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070366
1-N-(3,4-dimethylphenyl)-3-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071931
3-N-methyl-1-N-phenyl-3-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070858
1-N-(3,5-dimethylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071425
3-N-butyl-1-N-cycloheptyl-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071214

Frequently Asked Questions

What is the IUPAC name of 3-N-butyl-3-N-methyl-1-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-butyl-3-N-methyl-1-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109071524) is 3-N-butyl-3-N-methyl-1-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-butyl-3-N-methyl-1-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-butyl-3-N-methyl-1-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCCN(C)C(=O)c1nc(C(=O)Nc2cccc(C)c2)c2ccccn12.
What is the InChIKey of 3-N-butyl-3-N-methyl-1-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is BBCOVQRAIHTDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-4-5-12-24(3)21(27)19-23-18(17-11-6-7-13-25(17)19)20(26)22-16-10-8-9-15(2)14-16/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,26).
What are the key properties of 3-N-butyl-3-N-methyl-1-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-butyl-3-N-methyl-1-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-3-N-methyl-1-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109071524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).