1-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C22H24N4O3 — CID 109076161

IUPAC1-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCN(C(=O)c1nc(C(=O)NCc2ccco2)n2c1CCCC2)c1ccccc1
InChIInChI=1S/C22H24N4O3/c1-2-25(16-9-4-3-5-10-16)22(28)19-18-12-6-7-13-26(18)20(24-19)21(27)23-15-17-11-8-14-29-17/h3-5,8-11,14H,2,6-7,12-13,15H2,1H3,(H,23,27)
InChIKeyZBSBYNBYLPMJGU-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.41
Rot. Bonds6

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

1-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109076161) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109076161
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCN(C(=O)c1nc(C(=O)NCc2ccco2)n2c1CCCC2)c1ccccc1
InChIInChI=1S/C22H24N4O3/c1-2-25(16-9-4-3-5-10-16)22(28)19-18-12-6-7-13-26(18)20(24-19)21(27)23-15-17-11-8-14-29-17/h3-5,8-11,14H,2,6-7,12-13,15H2,1H3,(H,23,27)
InChIKeyZBSBYNBYLPMJGU-UHFFFAOYSA-N
XLogP3.41
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-cyclopropyl-1-N-ethyl-1-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072958
1-N-(furan-2-ylmethyl)-3-N-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076117
3-N-benzyl-1-N,1-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076204
3-N-(2,4-dimethylphenyl)-1-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076103
1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076099
3-N-(4-cyanophenyl)-1-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076123
1-N-benzyl-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076179
1-N-benzyl-3-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075686
1-N-benzyl-3-N-butyl-1-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073493
1-N-benzyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072584
N-benzyl-1-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109074526
1-N-benzyl-3-N,3-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076187

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109076161) is 1-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCN(C(=O)c1nc(C(=O)NCc2ccco2)n2c1CCCC2)c1ccccc1.
What is the InChIKey of 1-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is ZBSBYNBYLPMJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-2-25(16-9-4-3-5-10-16)22(28)19-18-12-6-7-13-26(18)20(24-19)21(27)23-15-17-11-8-14-29-17/h3-5,8-11,14H,2,6-7,12-13,15H2,1H3,(H,23,27).
What are the key properties of 1-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109076161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).