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

C22H28N4O3 — CID 109075532

IUPAC3-N-(2,3-dimethylphenyl)-1-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)c2nc(C(=O)NCC3CCCO3)c3n2CCCC3)c1C
InChIInChI=1S/C22H28N4O3/c1-14-7-5-9-17(15(14)2)24-22(28)20-25-19(18-10-3-4-11-26(18)20)21(27)23-13-16-8-6-12-29-16/h5,7,9,16H,3-4,6,8,10-13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeySEHJEAJBWXIOCA-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.00
Rot. Bonds5

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

3-N-(2,3-dimethylphenyl)-1-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109075532) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-N-(2,3-dimethylphenyl)-1-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,3-dimethylphenyl)-1-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109075532
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name3-N-(2,3-dimethylphenyl)-1-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)c2nc(C(=O)NCC3CCCO3)c3n2CCCC3)c1C
InChIInChI=1S/C22H28N4O3/c1-14-7-5-9-17(15(14)2)24-22(28)20-25-19(18-10-3-4-11-26(18)20)21(27)23-13-16-8-6-12-29-16/h5,7,9,16H,3-4,6,8,10-13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeySEHJEAJBWXIOCA-UHFFFAOYSA-N
XLogP3.00
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(2-ethylphenyl)-1-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075533
1-N-(3,5-dimethylphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075581
1-N-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075591
1-N-(4-fluorophenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075588
1-N-(oxolan-2-ylmethyl)-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075509
1-N-[2-(dimethylamino)ethyl]-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075546
N-(2,3-dimethylphenyl)-3-(4-methylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109074915
3-(2-ethylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109075517
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-(3-chloro-2-methylphenyl)-3-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073796
N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 2078790
1-N-(2,6-dimethylphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077570

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,3-dimethylphenyl)-1-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-(2,3-dimethylphenyl)-1-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109075532) is 3-N-(2,3-dimethylphenyl)-1-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2,3-dimethylphenyl)-1-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2,3-dimethylphenyl)-1-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is Cc1cccc(NC(=O)c2nc(C(=O)NCC3CCCO3)c3n2CCCC3)c1C.
What is the InChIKey of 3-N-(2,3-dimethylphenyl)-1-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is SEHJEAJBWXIOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-14-7-5-9-17(15(14)2)24-22(28)20-25-19(18-10-3-4-11-26(18)20)21(27)23-13-16-8-6-12-29-16/h5,7,9,16H,3-4,6,8,10-13H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 3-N-(2,3-dimethylphenyl)-1-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-(2,3-dimethylphenyl)-1-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,3-dimethylphenyl)-1-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109075532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).