3-N-benzyl-1-N-(2-methoxyethyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C22H30N4O3 — CID 109074999

IUPAC3-N-benzyl-1-N-(2-methoxyethyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOCCNC(=O)c1nc(C(=O)N(Cc2ccccc2)C(C)C)n2c1CCCC2
InChIInChI=1S/C22H30N4O3/c1-16(2)26(15-17-9-5-4-6-10-17)22(28)20-24-19(21(27)23-12-14-29-3)18-11-7-8-13-25(18)20/h4-6,9-10,16H,7-8,11-15H2,1-3H3,(H,23,27)
InChIKeyMUMINFKKAQLQGC-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.65
Rot. Bonds8

About 3-N-benzyl-1-N-(2-methoxyethyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-benzyl-1-N-(2-methoxyethyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109074999) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-N-benzyl-1-N-(2-methoxyethyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-1-N-(2-methoxyethyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109074999
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name3-N-benzyl-1-N-(2-methoxyethyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOCCNC(=O)c1nc(C(=O)N(Cc2ccccc2)C(C)C)n2c1CCCC2
InChIInChI=1S/C22H30N4O3/c1-16(2)26(15-17-9-5-4-6-10-17)22(28)20-24-19(21(27)23-12-14-29-3)18-11-7-8-13-25(18)20/h4-6,9-10,16H,7-8,11-15H2,1-3H3,(H,23,27)
InChIKeyMUMINFKKAQLQGC-UHFFFAOYSA-N
XLogP2.65
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-benzyl-3-N-(2-methoxyethyl)-1-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075081
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-(2-methoxyethyl)-3-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074975
1-N-(3-methoxypropyl)-3-N-methyl-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075212
1-N-benzyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072584
1-N-(2-chlorophenyl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075138
3-N-methyl-1-N-(3-methylbutyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076952
3-N-(3-methoxypropyl)-1-N-(2-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075303
1-N-(2,6-dimethylphenyl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075123
1-N-(2-methoxyethyl)-3-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075010
3-N-benzyl-3-N-methyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073053
1-N-benzyl-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076179

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-1-N-(2-methoxyethyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-benzyl-1-N-(2-methoxyethyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109074999) is 3-N-benzyl-1-N-(2-methoxyethyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-1-N-(2-methoxyethyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-benzyl-1-N-(2-methoxyethyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is COCCNC(=O)c1nc(C(=O)N(Cc2ccccc2)C(C)C)n2c1CCCC2.
What is the InChIKey of 3-N-benzyl-1-N-(2-methoxyethyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is MUMINFKKAQLQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-16(2)26(15-17-9-5-4-6-10-17)22(28)20-24-19(21(27)23-12-14-29-3)18-11-7-8-13-25(18)20/h4-6,9-10,16H,7-8,11-15H2,1-3H3,(H,23,27).
What are the key properties of 3-N-benzyl-1-N-(2-methoxyethyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-benzyl-1-N-(2-methoxyethyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 398.51 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-1-N-(2-methoxyethyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109074999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).