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

C22H30N4O3 — CID 109077227

IUPAC3-N-butyl-1-N-(2-ethoxyphenyl)-3-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1nc(C(=O)Nc2ccccc2OCC)c2n1CCCC2
InChIInChI=1S/C22H30N4O3/c1-4-6-14-25(3)22(28)20-24-19(17-12-9-10-15-26(17)20)21(27)23-16-11-7-8-13-18(16)29-5-2/h7-8,11,13H,4-6,9-10,12,14-15H2,1-3H3,(H,23,27)
InChIKeyFKTUPDWNNXMAAN-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.74
Rot. Bonds8

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

3-N-butyl-1-N-(2-ethoxyphenyl)-3-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109077227) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-N-butyl-1-N-(2-ethoxyphenyl)-3-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-butyl-1-N-(2-ethoxyphenyl)-3-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109077227
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name3-N-butyl-1-N-(2-ethoxyphenyl)-3-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1nc(C(=O)Nc2ccccc2OCC)c2n1CCCC2
InChIInChI=1S/C22H30N4O3/c1-4-6-14-25(3)22(28)20-24-19(17-12-9-10-15-26(17)20)21(27)23-16-11-7-8-13-18(16)29-5-2/h7-8,11,13H,4-6,9-10,12,14-15H2,1-3H3,(H,23,27)
InChIKeyFKTUPDWNNXMAAN-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(2-ethoxyphenyl)-3-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077128
1-N-(2-ethoxyphenyl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075149
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-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076763
3-N,3-N-diethyl-1-N-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076716
1-N-butyl-3-N-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073420
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-[3-(dimethylamino)propyl]-3-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075798
3-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075728
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-methoxyethyl)-1-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075107
1-N-(2-propan-2-ylphenyl)-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072340

Frequently Asked Questions

What is the IUPAC name of 3-N-butyl-1-N-(2-ethoxyphenyl)-3-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-butyl-1-N-(2-ethoxyphenyl)-3-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109077227) is 3-N-butyl-1-N-(2-ethoxyphenyl)-3-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-butyl-1-N-(2-ethoxyphenyl)-3-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-butyl-1-N-(2-ethoxyphenyl)-3-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCCN(C)C(=O)c1nc(C(=O)Nc2ccccc2OCC)c2n1CCCC2.
What is the InChIKey of 3-N-butyl-1-N-(2-ethoxyphenyl)-3-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is FKTUPDWNNXMAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-4-6-14-25(3)22(28)20-24-19(17-12-9-10-15-26(17)20)21(27)23-16-11-7-8-13-18(16)29-5-2/h7-8,11,13H,4-6,9-10,12,14-15H2,1-3H3,(H,23,27).
What are the key properties of 3-N-butyl-1-N-(2-ethoxyphenyl)-3-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-butyl-1-N-(2-ethoxyphenyl)-3-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 398.51 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-1-N-(2-ethoxyphenyl)-3-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109077227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).