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

C22H30N4O3 — CID 109077128

IUPAC1-N-(2-ethoxyphenyl)-3-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCCNC(=O)c1nc(C(=O)Nc2ccccc2OCC)c2n1CCCC2
InChIInChI=1S/C22H30N4O3/c1-3-5-9-14-23-22(28)20-25-19(17-12-8-10-15-26(17)20)21(27)24-16-11-6-7-13-18(16)29-4-2/h6-7,11,13H,3-5,8-10,12,14-15H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyHNGOFMRYVXGGOB-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.79
Rot. Bonds9

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

1-N-(2-ethoxyphenyl)-3-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109077128) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-N-(2-ethoxyphenyl)-3-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-ethoxyphenyl)-3-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109077128
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name1-N-(2-ethoxyphenyl)-3-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCCNC(=O)c1nc(C(=O)Nc2ccccc2OCC)c2n1CCCC2
InChIInChI=1S/C22H30N4O3/c1-3-5-9-14-23-22(28)20-25-19(17-12-8-10-15-26(17)20)21(27)24-16-11-6-7-13-18(16)29-4-2/h6-7,11,13H,3-5,8-10,12,14-15H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyHNGOFMRYVXGGOB-UHFFFAOYSA-N
XLogP3.79
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.79
H-Bond Donors ≤ 52
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-(2-ethoxyphenyl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075149
3-N-butyl-1-N-(2-ethoxyphenyl)-3-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077227
3-N-(2-fluorophenyl)-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077070
1-N-butyl-3-N-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073420
3-N-(4-ethoxyphenyl)-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077079
3-N-pentyl-1-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076411
1-N-(2-chlorophenyl)-3-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075308
1-N-(2-propan-2-ylphenyl)-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072340
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-cyanophenyl)-3-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075320
1-N-(2-chlorophenyl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075138
3-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075728

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethoxyphenyl)-3-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-(2-ethoxyphenyl)-3-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109077128) is 1-N-(2-ethoxyphenyl)-3-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2-ethoxyphenyl)-3-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2-ethoxyphenyl)-3-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCCCNC(=O)c1nc(C(=O)Nc2ccccc2OCC)c2n1CCCC2.
What is the InChIKey of 1-N-(2-ethoxyphenyl)-3-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is HNGOFMRYVXGGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-3-5-9-14-23-22(28)20-25-19(17-12-8-10-15-26(17)20)21(27)24-16-11-6-7-13-18(16)29-4-2/h6-7,11,13H,3-5,8-10,12,14-15H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of 1-N-(2-ethoxyphenyl)-3-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-(2-ethoxyphenyl)-3-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 398.51 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethoxyphenyl)-3-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109077128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).