1-N-butyl-1-N,3-N-dimethyl-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H28N4O2 — CID 109077154

IUPAC1-N-butyl-1-N,3-N-dimethyl-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1nc(C(=O)N(C)c2ccccc2)n2c1CCCC2
InChIInChI=1S/C21H28N4O2/c1-4-5-14-23(2)20(26)18-17-13-9-10-15-25(17)19(22-18)21(27)24(3)16-11-7-6-8-12-16/h6-8,11-12H,4-5,9-10,13-15H2,1-3H3
InChIKeyQMUQZGUFTUCSOJ-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.37
Rot. Bonds6

About 1-N-butyl-1-N,3-N-dimethyl-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-butyl-1-N,3-N-dimethyl-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109077154) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-N-butyl-1-N,3-N-dimethyl-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-1-N,3-N-dimethyl-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109077154
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-N-butyl-1-N,3-N-dimethyl-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1nc(C(=O)N(C)c2ccccc2)n2c1CCCC2
InChIInChI=1S/C21H28N4O2/c1-4-5-14-23(2)20(26)18-17-13-9-10-15-25(17)19(22-18)21(27)24(3)16-11-7-6-8-12-16/h6-8,11-12H,4-5,9-10,13-15H2,1-3H3
InChIKeyQMUQZGUFTUCSOJ-UHFFFAOYSA-N
XLogP3.37
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-benzyl-1-N-butyl-3-N-ethyl-1-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076403
1-N-butyl-1-N-methyl-3-N-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076763
3-(azepane-1-carbonyl)-N-butyl-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109077149
1-N-butyl-1-N-methyl-3-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077151
1-N-(3-methoxypropyl)-3-N-methyl-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075212
N-butyl-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109077187
N-butyl-N-methyl-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 6626025
1-N-butyl-3-N-(2-methoxyethyl)-1-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075107
3-N-methyl-1-N-(3-methylbutyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076952
1-N-butyl-3-N-(3,5-dimethylphenyl)-1-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077160
3-N-butyl-3-N-methyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073092
1-N-benzyl-3-N,3-N-diethyl-1-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076306

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-1-N,3-N-dimethyl-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-butyl-1-N,3-N-dimethyl-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109077154) is 1-N-butyl-1-N,3-N-dimethyl-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-butyl-1-N,3-N-dimethyl-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-butyl-1-N,3-N-dimethyl-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCCN(C)C(=O)c1nc(C(=O)N(C)c2ccccc2)n2c1CCCC2.
What is the InChIKey of 1-N-butyl-1-N,3-N-dimethyl-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is QMUQZGUFTUCSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-4-5-14-23(2)20(26)18-17-13-9-10-15-25(17)19(22-18)21(27)24(3)16-11-7-6-8-12-16/h6-8,11-12H,4-5,9-10,13-15H2,1-3H3.
What are the key properties of 1-N-butyl-1-N,3-N-dimethyl-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-butyl-1-N,3-N-dimethyl-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-1-N,3-N-dimethyl-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109077154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).