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

C22H30N4O2 — CID 109073493

IUPAC1-N-benzyl-3-N-butyl-1-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCNC(=O)c1nc(C(=O)N(CC)Cc2ccccc2)c2n1CCCC2
InChIInChI=1S/C22H30N4O2/c1-3-5-14-23-21(27)20-24-19(18-13-9-10-15-26(18)20)22(28)25(4-2)16-17-11-7-6-8-12-17/h6-8,11-12H,3-5,9-10,13-16H2,1-2H3,(H,23,27)
InChIKeyGZIRESINRZNRRM-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.41
Rot. Bonds8

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

1-N-benzyl-3-N-butyl-1-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109073493) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-N-benzyl-3-N-butyl-1-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-3-N-butyl-1-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109073493
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-N-benzyl-3-N-butyl-1-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCNC(=O)c1nc(C(=O)N(CC)Cc2ccccc2)c2n1CCCC2
InChIInChI=1S/C22H30N4O2/c1-3-5-14-23-21(27)20-24-19(18-13-9-10-15-26(18)20)22(28)25(4-2)16-17-11-7-6-8-12-17/h6-8,11-12H,3-5,9-10,13-16H2,1-2H3,(H,23,27)
InChIKeyGZIRESINRZNRRM-UHFFFAOYSA-N
XLogP3.41
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.41
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,1-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076204
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-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
3-N-butyl-1-N,1-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073518
3-N-benzyl-1-N,1-N-diethyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076609
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
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-benzyl-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076179
3-N-[2-(dimethylamino)ethyl]-1-N,1-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075704
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073379
1-N-butyl-3-N-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073420
3-N-butyl-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073513

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-3-N-butyl-1-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-benzyl-3-N-butyl-1-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109073493) is 1-N-benzyl-3-N-butyl-1-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-3-N-butyl-1-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-benzyl-3-N-butyl-1-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCCNC(=O)c1nc(C(=O)N(CC)Cc2ccccc2)c2n1CCCC2.
What is the InChIKey of 1-N-benzyl-3-N-butyl-1-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is GZIRESINRZNRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-3-5-14-23-21(27)20-24-19(18-13-9-10-15-26(18)20)22(28)25(4-2)16-17-11-7-6-8-12-17/h6-8,11-12H,3-5,9-10,13-16H2,1-2H3,(H,23,27).
What are the key properties of 1-N-benzyl-3-N-butyl-1-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-benzyl-3-N-butyl-1-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-3-N-butyl-1-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109073493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).