3-N-butyl-1-N-cycloheptyl-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H30N4O2 — CID 109071214

IUPAC3-N-butyl-1-N-cycloheptyl-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1nc(C(=O)NC2CCCCCC2)c2ccccn12
InChIInChI=1S/C21H30N4O2/c1-3-4-14-24(2)21(27)19-23-18(17-13-9-10-15-25(17)19)20(26)22-16-11-7-5-6-8-12-16/h9-10,13,15-16H,3-8,11-12,14H2,1-2H3,(H,22,26)
InChIKeySDTOHVTYLSHPMP-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.66
Rot. Bonds6

About 3-N-butyl-1-N-cycloheptyl-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-butyl-1-N-cycloheptyl-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109071214) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 3-N-butyl-1-N-cycloheptyl-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-butyl-1-N-cycloheptyl-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109071214
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name3-N-butyl-1-N-cycloheptyl-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1nc(C(=O)NC2CCCCCC2)c2ccccn12
InChIInChI=1S/C21H30N4O2/c1-3-4-14-24(2)21(27)19-23-18(17-13-9-10-15-25(17)19)20(26)22-16-11-7-5-6-8-12-16/h9-10,13,15-16H,3-8,11-12,14H2,1-2H3,(H,22,26)
InChIKeySDTOHVTYLSHPMP-UHFFFAOYSA-N
XLogP3.66
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-cyclopentyl-3-N,3-N-dipropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068204
3-N-cyclohexyl-1-N-cyclopentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068157
N-butyl-N-methyl-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109067949
1-N,3-N-dibutyl-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067304
3-N-cyclohexyl-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067383
3-N-butyl-1-N-(2-fluorophenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071542
3-N-butyl-1-N-(4-ethylphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071536
3-N-butyl-1-N-(2,4-dimethylphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071529
3-N-butyl-1-N-(4-ethoxyphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071555
1-N-cyclopropyl-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066555
1-N-benzyl-3-N-cyclopentyl-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068277
3-N-butyl-3-N-methyl-1-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071524

Frequently Asked Questions

What is the IUPAC name of 3-N-butyl-1-N-cycloheptyl-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-butyl-1-N-cycloheptyl-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109071214) is 3-N-butyl-1-N-cycloheptyl-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-butyl-1-N-cycloheptyl-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-butyl-1-N-cycloheptyl-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCCN(C)C(=O)c1nc(C(=O)NC2CCCCCC2)c2ccccn12.
What is the InChIKey of 3-N-butyl-1-N-cycloheptyl-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is SDTOHVTYLSHPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-3-4-14-24(2)21(27)19-23-18(17-13-9-10-15-25(17)19)20(26)22-16-11-7-5-6-8-12-16/h9-10,13,15-16H,3-8,11-12,14H2,1-2H3,(H,22,26).
What are the key properties of 3-N-butyl-1-N-cycloheptyl-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-butyl-1-N-cycloheptyl-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 370.50 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-1-N-cycloheptyl-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109071214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).