1-N-butyl-1-N-methyl-3-N-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C23H32N4O2 — CID 109076763

IUPAC1-N-butyl-1-N-methyl-3-N-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1nc(C(=O)NCCCc2ccccc2)n2c1CCCC2
InChIInChI=1S/C23H32N4O2/c1-3-4-16-26(2)23(29)20-19-14-8-9-17-27(19)21(25-20)22(28)24-15-10-13-18-11-6-5-7-12-18/h5-7,11-12H,3-4,8-10,13-17H2,1-2H3,(H,24,28)
InChIKeyDJOWCKZVPOUEPM-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.45
Rot. Bonds9

About 1-N-butyl-1-N-methyl-3-N-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-butyl-1-N-methyl-3-N-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109076763) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 1-N-butyl-1-N-methyl-3-N-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-1-N-methyl-3-N-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109076763
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name1-N-butyl-1-N-methyl-3-N-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1nc(C(=O)NCCCc2ccccc2)n2c1CCCC2
InChIInChI=1S/C23H32N4O2/c1-3-4-16-26(2)23(29)20-19-14-8-9-17-27(19)21(25-20)22(28)24-15-10-13-18-11-6-5-7-12-18/h5-7,11-12H,3-4,8-10,13-17H2,1-2H3,(H,24,28)
InChIKeyDJOWCKZVPOUEPM-UHFFFAOYSA-N
XLogP3.45
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.45
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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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-benzyl-3-N-butyl-1-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073493
1-N-butyl-3-N-(2-methoxyethyl)-1-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075107
1-N-butyl-1-N-methyl-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076994
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
1-N-butyl-1-N-methyl-3-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077151
3-N-butyl-1-N,1-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073518
1-N-benzyl-3-N-(2-methoxyethyl)-1-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075081
1-N-butyl-3-N-cyclohexyl-1-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074782
1-N-benzyl-3-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075686
3-N-benzyl-1-N,1-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076204
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

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-1-N-methyl-3-N-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-butyl-1-N-methyl-3-N-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109076763) is 1-N-butyl-1-N-methyl-3-N-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-butyl-1-N-methyl-3-N-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-butyl-1-N-methyl-3-N-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCCN(C)C(=O)c1nc(C(=O)NCCCc2ccccc2)n2c1CCCC2.
What is the InChIKey of 1-N-butyl-1-N-methyl-3-N-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is DJOWCKZVPOUEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-3-4-16-26(2)23(29)20-19-14-8-9-17-27(19)21(25-20)22(28)24-15-10-13-18-11-6-5-7-12-18/h5-7,11-12H,3-4,8-10,13-17H2,1-2H3,(H,24,28).
What are the key properties of 1-N-butyl-1-N-methyl-3-N-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-butyl-1-N-methyl-3-N-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 396.54 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-1-N-methyl-3-N-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109076763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).