1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H25N5O2 — CID 109069795

IUPAC1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)c2nc(C(=O)NCCCN(C)C)c3ccccn23)c1
InChIInChI=1S/C21H25N5O2/c1-15-8-6-9-16(14-15)23-21(28)19-24-18(17-10-4-5-13-26(17)19)20(27)22-11-7-12-25(2)3/h4-6,8-10,13-14H,7,11-12H2,1-3H3,(H,22,27)(H,23,28)
InChIKeyJSHCSSJPISQFOE-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.58
Rot. Bonds7

About 1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109069795) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109069795
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)c2nc(C(=O)NCCCN(C)C)c3ccccn23)c1
InChIInChI=1S/C21H25N5O2/c1-15-8-6-9-16(14-15)23-21(28)19-24-18(17-10-4-5-13-26(17)19)20(27)22-11-7-12-25(2)3/h4-6,8-10,13-14H,7,11-12H2,1-3H3,(H,22,27)(H,23,28)
InChIKeyJSHCSSJPISQFOE-UHFFFAOYSA-N
XLogP2.58
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-[3-(dimethylamino)propyl]-3-N-(4-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069806
3-N-butyl-3-N-methyl-1-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071524
1-N-[2-(dimethylamino)ethyl]-3-N-(3-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069638
1-N-(3,4-dimethylphenyl)-3-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071931
3-N-(3-methylphenyl)-1-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071926
3-N-(3-acetamidophenyl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067228
1-N-(3-methylphenyl)-3-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070366
3-N-(4-chlorophenyl)-1-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069632
1-N-[2-(dimethylamino)ethyl]-3-N-(4-fluorophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069629
3-N-[2-(dimethylamino)ethyl]-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069705
1-N-butyl-3-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067130
1-N-(3,5-dimethylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071425

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109069795) is 1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is Cc1cccc(NC(=O)c2nc(C(=O)NCCCN(C)C)c3ccccn23)c1.
What is the InChIKey of 1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is JSHCSSJPISQFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-15-8-6-9-16(14-15)23-21(28)19-24-18(17-10-4-5-13-26(17)19)20(27)22-11-7-12-25(2)3/h4-6,8-10,13-14H,7,11-12H2,1-3H3,(H,22,27)(H,23,28).
What are the key properties of 1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109069795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).