1-N-tert-butyl-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C20H22N4O2 — CID 109071069

IUPAC1-N-tert-butyl-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCN(C(=O)c1nc(C(=O)NC(C)(C)C)c2ccccn12)c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-20(2,3)22-18(25)16-15-12-8-9-13-24(15)17(21-16)19(26)23(4)14-10-6-5-7-11-14/h5-13H,1-4H3,(H,22,25)
InChIKeyNKPGPECZPRDVHJ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.14
Rot. Bonds3

About 1-N-tert-butyl-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-tert-butyl-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109071069) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-N-tert-butyl-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-tert-butyl-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109071069
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-N-tert-butyl-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCN(C(=O)c1nc(C(=O)NC(C)(C)C)c2ccccn12)c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-20(2,3)22-18(25)16-15-12-8-9-13-24(15)17(21-16)19(26)23(4)14-10-6-5-7-11-14/h5-13H,1-4H3,(H,22,25)
InChIKeyNKPGPECZPRDVHJ-UHFFFAOYSA-N
XLogP3.14
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-methyl-3-N-phenyl-1-N-(1-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070419
1-N-tert-butyl-3-N,3-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070965
1-N-cyclopropyl-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066555
3-N-methyl-1-N-pentyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071365
1-N-(3,5-dimethylphenyl)-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072004
1-N-tert-butyl-3-N-[4-(dimethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071118
1-N-(4-ethylphenyl)-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072008
1-N-(3-fluorophenyl)-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072012
1-N-tert-butyl-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070790
3-N-methyl-3-N-phenyl-1-N,1-N-dipropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071669
1-N-butyl-3-N-tert-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067169
N-tert-butyl-3-(piperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068496

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-tert-butyl-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109071069) is 1-N-tert-butyl-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-tert-butyl-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-tert-butyl-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide is CN(C(=O)c1nc(C(=O)NC(C)(C)C)c2ccccn12)c1ccccc1.
What is the InChIKey of 1-N-tert-butyl-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is NKPGPECZPRDVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-20(2,3)22-18(25)16-15-12-8-9-13-24(15)17(21-16)19(26)23(4)14-10-6-5-7-11-14/h5-13H,1-4H3,(H,22,25).
What are the key properties of 1-N-tert-butyl-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-tert-butyl-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109071069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).