3-N-tert-butyl-1-N-[(2-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H24N4O3 — CID 109070533

IUPAC3-N-tert-butyl-1-N-[(2-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOc1ccccc1CNC(=O)c1nc(C(=O)NC(C)(C)C)n2ccccc12
InChIInChI=1S/C21H24N4O3/c1-21(2,3)24-20(27)18-23-17(15-10-7-8-12-25(15)18)19(26)22-13-14-9-5-6-11-16(14)28-4/h5-12H,13H2,1-4H3,(H,22,26)(H,24,27)
InChIKeyBVQMDPLNNLQHNJ-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.80
Rot. Bonds5

About 3-N-tert-butyl-1-N-[(2-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-tert-butyl-1-N-[(2-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109070533) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-N-tert-butyl-1-N-[(2-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-tert-butyl-1-N-[(2-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109070533
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name3-N-tert-butyl-1-N-[(2-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOc1ccccc1CNC(=O)c1nc(C(=O)NC(C)(C)C)n2ccccc12
InChIInChI=1S/C21H24N4O3/c1-21(2,3)24-20(27)18-23-17(15-10-7-8-12-25(15)18)19(26)22-13-14-9-5-6-11-16(14)28-4/h5-12H,13H2,1-4H3,(H,22,26)(H,24,27)
InChIKeyBVQMDPLNNLQHNJ-UHFFFAOYSA-N
XLogP2.80
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-butyl-3-N-[(2-methoxyphenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070541
1-N-butyl-3-N-tert-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067169
3-N-tert-butyl-1-N-(2,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071186
1-N-tert-butyl-3-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070357
1-N-tert-butyl-3-N,3-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070965
1-N-tert-butyl-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070790
3-N-(2-methylphenyl)-1-N-[(2-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070314
3-N-[(2-methylphenyl)methyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067399
1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066061
1-N-tert-butyl-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071069
3-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070321
1-N-tert-butyl-3-N-cycloheptylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071055

Frequently Asked Questions

What is the IUPAC name of 3-N-tert-butyl-1-N-[(2-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-tert-butyl-1-N-[(2-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109070533) is 3-N-tert-butyl-1-N-[(2-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-tert-butyl-1-N-[(2-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-tert-butyl-1-N-[(2-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide is COc1ccccc1CNC(=O)c1nc(C(=O)NC(C)(C)C)n2ccccc12.
What is the InChIKey of 3-N-tert-butyl-1-N-[(2-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is BVQMDPLNNLQHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-21(2,3)24-20(27)18-23-17(15-10-7-8-12-25(15)18)19(26)22-13-14-9-5-6-11-16(14)28-4/h5-12H,13H2,1-4H3,(H,22,26)(H,24,27).
What are the key properties of 3-N-tert-butyl-1-N-[(2-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-tert-butyl-1-N-[(2-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-tert-butyl-1-N-[(2-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109070533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).