3-N-methyl-1-N-pentyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H24N4O2 — CID 109071365

IUPAC3-N-methyl-1-N-pentyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCCNC(=O)c1nc(C(=O)N(C)c2ccccc2)n2ccccc12
InChIInChI=1S/C21H24N4O2/c1-3-4-9-14-22-20(26)18-17-13-8-10-15-25(17)19(23-18)21(27)24(2)16-11-6-5-7-12-16/h5-8,10-13,15H,3-4,9,14H2,1-2H3,(H,22,26)
InChIKeyDHZXIGSDYMUSMJ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.53
Rot. Bonds7

About 3-N-methyl-1-N-pentyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-methyl-1-N-pentyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109071365) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-N-methyl-1-N-pentyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-methyl-1-N-pentyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109071365
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-N-methyl-1-N-pentyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCCNC(=O)c1nc(C(=O)N(C)c2ccccc2)n2ccccc12
InChIInChI=1S/C21H24N4O2/c1-3-4-9-14-22-20(26)18-17-13-8-10-15-25(17)19(23-18)21(27)24(2)16-11-6-5-7-12-16/h5-8,10-13,15H,3-4,9,14H2,1-2H3,(H,22,26)
InChIKeyDHZXIGSDYMUSMJ-UHFFFAOYSA-N
XLogP3.53
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-1-N-pentyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-methyl-1-N-pentyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109071365) is 3-N-methyl-1-N-pentyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-methyl-1-N-pentyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-methyl-1-N-pentyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCCCNC(=O)c1nc(C(=O)N(C)c2ccccc2)n2ccccc12.
What is the InChIKey of 3-N-methyl-1-N-pentyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is DHZXIGSDYMUSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-3-4-9-14-22-20(26)18-17-13-8-10-15-25(17)19(23-18)21(27)24(2)16-11-6-5-7-12-16/h5-8,10-13,15H,3-4,9,14H2,1-2H3,(H,22,26).
What are the key properties of 3-N-methyl-1-N-pentyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-methyl-1-N-pentyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-1-N-pentyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109071365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).