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

C17H25N5O2 — CID 109067130

IUPAC1-N-butyl-3-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCNC(=O)c1nc(C(=O)NCCN(C)C)n2ccccc12
InChIInChI=1S/C17H25N5O2/c1-4-5-9-18-16(23)14-13-8-6-7-11-22(13)15(20-14)17(24)19-10-12-21(2)3/h6-8,11H,4-5,9-10,12H2,1-3H3,(H,18,23)(H,19,24)
InChIKeyWONGAAVKWGJXHS-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.16
Rot. Bonds8

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

1-N-butyl-3-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109067130) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-N-butyl-3-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-3-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109067130
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-N-butyl-3-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCNC(=O)c1nc(C(=O)NCCN(C)C)n2ccccc12
InChIInChI=1S/C17H25N5O2/c1-4-5-9-18-16(23)14-13-8-6-7-11-22(13)15(20-14)17(24)19-10-12-21(2)3/h6-8,11H,4-5,9-10,12H2,1-3H3,(H,18,23)(H,19,24)
InChIKeyWONGAAVKWGJXHS-UHFFFAOYSA-N
XLogP1.16
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.16
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-N-dibutyl-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067304
1-N-butyl-3-N-tert-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067169
3-N-(2-methylpropyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067562
3-N-butyl-1-N-ethyl-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067325
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-[3-(dimethylamino)propyl]-3-N-(4-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069806
3-N-[2-(dimethylamino)ethyl]-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069705
3-N-methyl-1-N-pentyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071365
1-N-(4-acetylphenyl)-3-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067357
1-N-[2-(dimethylamino)ethyl]-3-N-(4-ethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069641
1-N-[3-(dimethylamino)propyl]-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069770

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-3-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-butyl-3-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109067130) is 1-N-butyl-3-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-butyl-3-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-butyl-3-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCCNC(=O)c1nc(C(=O)NCCN(C)C)n2ccccc12.
What is the InChIKey of 1-N-butyl-3-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is WONGAAVKWGJXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-4-5-9-18-16(23)14-13-8-6-7-11-22(13)15(20-14)17(24)19-10-12-21(2)3/h6-8,11H,4-5,9-10,12H2,1-3H3,(H,18,23)(H,19,24).
What are the key properties of 1-N-butyl-3-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-butyl-3-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-3-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109067130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).