3-N-(2-ethyl-6-methylphenyl)-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C23H32N4O2 — CID 109077066

IUPAC3-N-(2-ethyl-6-methylphenyl)-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCCNC(=O)c1nc(C(=O)Nc2c(C)cccc2CC)n2c1CCCC2
InChIInChI=1S/C23H32N4O2/c1-4-6-8-14-24-22(28)20-18-13-7-9-15-27(18)21(25-20)23(29)26-19-16(3)11-10-12-17(19)5-2/h10-12H,4-9,13-15H2,1-3H3,(H,24,28)(H,26,29)
InChIKeyWUUOJBVRWJWYMO-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.26
Rot. Bonds8

About 3-N-(2-ethyl-6-methylphenyl)-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-(2-ethyl-6-methylphenyl)-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109077066) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 3-N-(2-ethyl-6-methylphenyl)-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-ethyl-6-methylphenyl)-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109077066
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name3-N-(2-ethyl-6-methylphenyl)-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCCNC(=O)c1nc(C(=O)Nc2c(C)cccc2CC)n2c1CCCC2
InChIInChI=1S/C23H32N4O2/c1-4-6-8-14-24-22(28)20-18-13-7-9-15-27(18)21(25-20)23(29)26-19-16(3)11-10-12-17(19)5-2/h10-12H,4-9,13-15H2,1-3H3,(H,24,28)(H,26,29)
InChIKeyWUUOJBVRWJWYMO-UHFFFAOYSA-N
XLogP4.26
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.26
H-Bond Donors ≤ 52
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-(2-ethyl-6-methylphenyl)-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072184
3-N-(2-ethyl-6-methylphenyl)-1-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075224
1-N-pentyl-3-N-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077069
3-N-(2-fluorophenyl)-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077070
1-N-(2,6-dimethylphenyl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075123
3-N-butyl-1-N-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073539
3-N-(2,6-diethylphenyl)-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073118
1-N-(2,6-dimethylphenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077010
3-N-(2,6-dimethylphenyl)-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073109
1-N-butyl-3-N-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073420
1-N-butyl-3-N-(5-chloro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073426
3-N-(4-ethoxyphenyl)-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077079

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-ethyl-6-methylphenyl)-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-ethyl-6-methylphenyl)-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109077066) is 3-N-(2-ethyl-6-methylphenyl)-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-ethyl-6-methylphenyl)-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-ethyl-6-methylphenyl)-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCCCNC(=O)c1nc(C(=O)Nc2c(C)cccc2CC)n2c1CCCC2.
What is the InChIKey of 3-N-(2-ethyl-6-methylphenyl)-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is WUUOJBVRWJWYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-4-6-8-14-24-22(28)20-18-13-7-9-15-27(18)21(25-20)23(29)26-19-16(3)11-10-12-17(19)5-2/h10-12H,4-9,13-15H2,1-3H3,(H,24,28)(H,26,29).
What are the key properties of 3-N-(2-ethyl-6-methylphenyl)-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-(2-ethyl-6-methylphenyl)-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 396.54 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-ethyl-6-methylphenyl)-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109077066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).