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

C21H28N4O2 — CID 109076227

IUPAC3-N-tert-butyl-1-N-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1nc(C(=O)NC(C)(C)C)n2c1CCCC2
InChIInChI=1S/C21H28N4O2/c1-14-9-5-6-10-15(14)13-22-19(26)17-16-11-7-8-12-25(16)18(23-17)20(27)24-21(2,3)4/h5-6,9-10H,7-8,11-13H2,1-4H3,(H,22,26)(H,24,27)
InChIKeyGUDXPENSFHAWNL-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.99
Rot. Bonds4

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

3-N-tert-butyl-1-N-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109076227) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-N-tert-butyl-1-N-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-tert-butyl-1-N-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109076227
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name3-N-tert-butyl-1-N-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1nc(C(=O)NC(C)(C)C)n2c1CCCC2
InChIInChI=1S/C21H28N4O2/c1-14-9-5-6-10-15(14)13-22-19(26)17-16-11-7-8-12-25(16)18(23-17)20(27)24-21(2,3)4/h5-6,9-10H,7-8,11-13H2,1-4H3,(H,22,26)(H,24,27)
InChIKeyGUDXPENSFHAWNL-UHFFFAOYSA-N
XLogP2.99
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylphenyl)methyl]-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109075421
3-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076868
3-N-tert-butyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073087
1-N-[(2-fluorophenyl)methyl]-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072281
1-N-tert-butyl-3-N-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076793
1-N-tert-butyl-3-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076776
3-N-butan-2-yl-1-N-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073978
3-N-(4-acetamidophenyl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076819
3-N-tert-butyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074364
1-N-tert-butyl-3-N-(5-chloro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076804
1-N-benzyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072584
N-[(2-fluorophenyl)methyl]-3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109074623

Frequently Asked Questions

What is the IUPAC name of 3-N-tert-butyl-1-N-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-tert-butyl-1-N-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109076227) is 3-N-tert-butyl-1-N-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-tert-butyl-1-N-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-tert-butyl-1-N-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is Cc1ccccc1CNC(=O)c1nc(C(=O)NC(C)(C)C)n2c1CCCC2.
What is the InChIKey of 3-N-tert-butyl-1-N-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is GUDXPENSFHAWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-14-9-5-6-10-15(14)13-22-19(26)17-16-11-7-8-12-25(16)18(23-17)20(27)24-21(2,3)4/h5-6,9-10H,7-8,11-13H2,1-4H3,(H,22,26)(H,24,27).
What are the key properties of 3-N-tert-butyl-1-N-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-tert-butyl-1-N-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-tert-butyl-1-N-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109076227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).