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

C22H28N4O3 — CID 109075581

IUPAC1-N-(3,5-dimethylphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)c2nc(C(=O)NCC3CCCO3)n3c2CCCC3)c1
InChIInChI=1S/C22H28N4O3/c1-14-10-15(2)12-16(11-14)24-21(27)19-18-7-3-4-8-26(18)20(25-19)22(28)23-13-17-6-5-9-29-17/h10-12,17H,3-9,13H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyOPKVEKPOJYORSY-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.00
Rot. Bonds5

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

1-N-(3,5-dimethylphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109075581) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-N-(3,5-dimethylphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3,5-dimethylphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109075581
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name1-N-(3,5-dimethylphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)c2nc(C(=O)NCC3CCCO3)n3c2CCCC3)c1
InChIInChI=1S/C22H28N4O3/c1-14-10-15(2)12-16(11-14)24-21(27)19-18-7-3-4-8-26(18)20(25-19)22(28)23-13-17-6-5-9-29-17/h10-12,17H,3-9,13H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyOPKVEKPOJYORSY-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

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-[2-(dimethylamino)ethyl]-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075546
3-N-(2,3-dimethylphenyl)-1-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075532
1-N-(oxolan-2-ylmethyl)-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075509
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-cyclopropyl-3-N-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072798
N-(3,5-dimethylphenyl)-3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109074268
3-(2-ethylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109075517
3-N-butyl-1-N-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073539
1-N-butyl-3-N-(3,5-dimethylphenyl)-1-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077160
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,5-dimethylphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-(3,5-dimethylphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109075581) is 1-N-(3,5-dimethylphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3,5-dimethylphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3,5-dimethylphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is Cc1cc(C)cc(NC(=O)c2nc(C(=O)NCC3CCCO3)n3c2CCCC3)c1.
What is the InChIKey of 1-N-(3,5-dimethylphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is OPKVEKPOJYORSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-14-10-15(2)12-16(11-14)24-21(27)19-18-7-3-4-8-26(18)20(25-19)22(28)23-13-17-6-5-9-29-17/h10-12,17H,3-9,13H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of 1-N-(3,5-dimethylphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-(3,5-dimethylphenyl)-3-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 1-N-(3,5-dimethylphenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109075581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).