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

C22H30N4O2 — CID 109077010

IUPAC1-N-(2,6-dimethylphenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1cccc(C)c1NC(=O)c1nc(C(=O)NCCC(C)C)n2c1CCCC2
InChIInChI=1S/C22H30N4O2/c1-14(2)11-12-23-22(28)20-24-19(17-10-5-6-13-26(17)20)21(27)25-18-15(3)8-7-9-16(18)4/h7-9,14H,5-6,10-13H2,1-4H3,(H,23,28)(H,25,27)
InChIKeyXQAODEDFXMMOKK-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.86
Rot. Bonds6

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

1-N-(2,6-dimethylphenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109077010) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-N-(2,6-dimethylphenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,6-dimethylphenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109077010
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-N-(2,6-dimethylphenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1cccc(C)c1NC(=O)c1nc(C(=O)NCCC(C)C)n2c1CCCC2
InChIInChI=1S/C22H30N4O2/c1-14(2)11-12-23-22(28)20-24-19(17-10-5-6-13-26(17)20)21(27)25-18-15(3)8-7-9-16(18)4/h7-9,14H,5-6,10-13H2,1-4H3,(H,23,28)(H,25,27)
InChIKeyXQAODEDFXMMOKK-UHFFFAOYSA-N
XLogP3.86
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2,6-dimethylphenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072643
1-N-(3-methylbutyl)-3-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073760
1-N-(3-methoxyphenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077025
1-N-(4-methoxyphenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077026
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-butyl-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073513
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-(2-methyl-6-propan-2-ylphenyl)-3-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073273
3-N-[2-(dimethylamino)ethyl]-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075708
3-N-cyclopropyl-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072935
3-N-(2-ethyl-6-methylphenyl)-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077066

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,6-dimethylphenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-(2,6-dimethylphenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109077010) is 1-N-(2,6-dimethylphenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2,6-dimethylphenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2,6-dimethylphenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is Cc1cccc(C)c1NC(=O)c1nc(C(=O)NCCC(C)C)n2c1CCCC2.
What is the InChIKey of 1-N-(2,6-dimethylphenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is XQAODEDFXMMOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-14(2)11-12-23-22(28)20-24-19(17-10-5-6-13-26(17)20)21(27)25-18-15(3)8-7-9-16(18)4/h7-9,14H,5-6,10-13H2,1-4H3,(H,23,28)(H,25,27).
What are the key properties of 1-N-(2,6-dimethylphenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-(2,6-dimethylphenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,6-dimethylphenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109077010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).