1-N-butyl-3-N-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C20H21ClN4O2 — CID 109067209

IUPAC1-N-butyl-3-N-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCNC(=O)c1nc(C(=O)Nc2cccc(Cl)c2C)n2ccccc12
InChIInChI=1S/C20H21ClN4O2/c1-3-4-11-22-19(26)17-16-10-5-6-12-25(16)18(24-17)20(27)23-15-9-7-8-14(21)13(15)2/h5-10,12H,3-4,11H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyRHBHDZYFGMYSGV-UHFFFAOYSA-N
MW384.87 g/mol
LogP4.08
Rot. Bonds6

About 1-N-butyl-3-N-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-butyl-3-N-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109067209) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 1-N-butyl-3-N-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-3-N-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109067209
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name1-N-butyl-3-N-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCNC(=O)c1nc(C(=O)Nc2cccc(Cl)c2C)n2ccccc12
InChIInChI=1S/C20H21ClN4O2/c1-3-4-11-22-19(26)17-16-10-5-6-12-25(16)18(24-17)20(27)23-15-9-7-8-14(21)13(15)2/h5-10,12H,3-4,11H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyRHBHDZYFGMYSGV-UHFFFAOYSA-N
XLogP4.08
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-(3-chloro-2-methylphenyl)-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066267
3-N-(2-ethylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071374
1-N-(2-methylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071416
3-N-(2,6-dimethylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071372
3-N-butyl-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067318
3-N-butyl-1-N-(2-propan-2-ylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067327
3-N-(4-chlorophenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071385
3-N-(3-acetamidophenyl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067228
1-N-(4-chloro-2-methylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071442
1-N-butyl-3-N-tert-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067169
1-N-butyl-3-N-(4-tert-butylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067203
1-N-butyl-3-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067130

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-3-N-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-butyl-3-N-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109067209) is 1-N-butyl-3-N-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-butyl-3-N-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-butyl-3-N-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCCNC(=O)c1nc(C(=O)Nc2cccc(Cl)c2C)n2ccccc12.
What is the InChIKey of 1-N-butyl-3-N-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is RHBHDZYFGMYSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-3-4-11-22-19(26)17-16-10-5-6-12-25(16)18(24-17)20(27)23-15-9-7-8-14(21)13(15)2/h5-10,12H,3-4,11H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 1-N-butyl-3-N-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-butyl-3-N-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 384.87 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-3-N-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109067209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).