1-N-tert-butyl-3-N-[4-(dimethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H25N5O2 — CID 109071118

IUPAC1-N-tert-butyl-3-N-[4-(dimethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCN(C)c1ccc(NC(=O)c2nc(C(=O)NC(C)(C)C)c3ccccn23)cc1
InChIInChI=1S/C21H25N5O2/c1-21(2,3)24-19(27)17-16-8-6-7-13-26(16)18(23-17)20(28)22-14-9-11-15(12-10-14)25(4)5/h6-13H,1-5H3,(H,22,28)(H,24,27)
InChIKeyHOYVCUVYUXQFLZ-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.18
Rot. Bonds4

About 1-N-tert-butyl-3-N-[4-(dimethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-tert-butyl-3-N-[4-(dimethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109071118) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-N-tert-butyl-3-N-[4-(dimethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-tert-butyl-3-N-[4-(dimethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109071118
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name1-N-tert-butyl-3-N-[4-(dimethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCN(C)c1ccc(NC(=O)c2nc(C(=O)NC(C)(C)C)c3ccccn23)cc1
InChIInChI=1S/C21H25N5O2/c1-21(2,3)24-19(27)17-16-8-6-7-13-26(16)18(23-17)20(28)22-14-9-11-15(12-10-14)25(4)5/h6-13H,1-5H3,(H,22,28)(H,24,27)
InChIKeyHOYVCUVYUXQFLZ-UHFFFAOYSA-N
XLogP3.18
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-N-tert-butyl-3-N-(4-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071079
N-[4-(dimethylamino)phenyl]-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109068010
1-N-tert-butyl-3-N,3-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070965
1-N-tert-butyl-3-N-(5-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071095
1-N-tert-butyl-3-N-quinolin-8-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071122
3-N-(4-methylphenyl)-1-N-(1-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070418
3-N-(4-tert-butylphenyl)-1-N-cyclopropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066574
1-N-tert-butyl-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070790
1-N-tert-butyl-3-N-cycloheptylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071055
1-N-[2-(dimethylamino)ethyl]-3-N-(4-fluorophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069629
3-N-(4-chlorophenyl)-1-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069632
1-N-butyl-3-N-(4-tert-butylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067203

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-3-N-[4-(dimethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-tert-butyl-3-N-[4-(dimethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109071118) is 1-N-tert-butyl-3-N-[4-(dimethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-tert-butyl-3-N-[4-(dimethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-tert-butyl-3-N-[4-(dimethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide is CN(C)c1ccc(NC(=O)c2nc(C(=O)NC(C)(C)C)c3ccccn23)cc1.
What is the InChIKey of 1-N-tert-butyl-3-N-[4-(dimethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is HOYVCUVYUXQFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-21(2,3)24-19(27)17-16-8-6-7-13-26(16)18(23-17)20(28)22-14-9-11-15(12-10-14)25(4)5/h6-13H,1-5H3,(H,22,28)(H,24,27).
What are the key properties of 1-N-tert-butyl-3-N-[4-(dimethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-tert-butyl-3-N-[4-(dimethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-3-N-[4-(dimethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109071118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).