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

C21H22N4O3 — CID 109069484

IUPAC3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)c2nc(C(=O)NCC3CCCO3)c3ccccn23)c1
InChIInChI=1S/C21H22N4O3/c1-14-6-4-7-15(12-14)23-21(27)19-24-18(17-9-2-3-10-25(17)19)20(26)22-13-16-8-5-11-28-16/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,22,26)(H,23,27)
InChIKeyVQPQFTHVCRSSQM-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.80
Rot. Bonds5

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

3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109069484) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109069484
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)c2nc(C(=O)NCC3CCCO3)c3ccccn23)c1
InChIInChI=1S/C21H22N4O3/c1-14-6-4-7-15(12-14)23-21(27)19-24-18(17-9-2-3-10-25(17)19)20(26)22-13-16-8-5-11-28-16/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,22,26)(H,23,27)
InChIKeyVQPQFTHVCRSSQM-UHFFFAOYSA-N
XLogP2.80
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(4-methoxyphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069504
1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069566
3-N-(3-methylbutyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069475
1-N-(3,4-dimethylphenyl)-3-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071931
3-N-cyclohexyl-1-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068661
3-N-(3-methylphenyl)-1-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071926
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725
1-N-(3-methylphenyl)-3-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070366
3-(1-benzylimidazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 97447006
1-N-(3-methylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133527
3-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205629
3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109070034

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109069484) is 3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is Cc1cccc(NC(=O)c2nc(C(=O)NCC3CCCO3)c3ccccn23)c1.
What is the InChIKey of 3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is VQPQFTHVCRSSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14-6-4-7-15(12-14)23-21(27)19-24-18(17-9-2-3-10-25(17)19)20(26)22-13-16-8-5-11-28-16/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109069484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).