1-N-[2-(dimethylamino)ethyl]-3-N-(4-ethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H25N5O3 — CID 109069641

IUPAC1-N-[2-(dimethylamino)ethyl]-3-N-(4-ethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2nc(C(=O)NCCN(C)C)c3ccccn23)cc1
InChIInChI=1S/C21H25N5O3/c1-4-29-16-10-8-15(9-11-16)23-21(28)19-24-18(17-7-5-6-13-26(17)19)20(27)22-12-14-25(2)3/h5-11,13H,4,12,14H2,1-3H3,(H,22,27)(H,23,28)
InChIKeyAUPLTWCXNMUJEP-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.28
Rot. Bonds8

About 1-N-[2-(dimethylamino)ethyl]-3-N-(4-ethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-[2-(dimethylamino)ethyl]-3-N-(4-ethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109069641) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)ethyl]-3-N-(4-ethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)ethyl]-3-N-(4-ethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109069641
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name1-N-[2-(dimethylamino)ethyl]-3-N-(4-ethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2nc(C(=O)NCCN(C)C)c3ccccn23)cc1
InChIInChI=1S/C21H25N5O3/c1-4-29-16-10-8-15(9-11-16)23-21(28)19-24-18(17-7-5-6-13-26(17)19)20(27)22-12-14-25(2)3/h5-11,13H,4,12,14H2,1-3H3,(H,22,27)(H,23,28)
InChIKeyAUPLTWCXNMUJEP-UHFFFAOYSA-N
XLogP2.28
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(4-ethoxyphenyl)-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065965
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-(4-ethoxyphenyl)-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069067
3-N-(4-ethoxyphenyl)-1-N,1-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070935
3-N-butyl-1-N-(4-ethoxyphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071555
1-N-[2-(dimethylamino)ethyl]-3-N-(3-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069638
3-N-(4-methoxyphenyl)-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065963
1-N-[3-(dimethylamino)propyl]-3-N-(4-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069806
1-N-butyl-3-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067130
3-N-(4-chlorophenyl)-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065952
3-N-(4-ethylphenyl)-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068925

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)ethyl]-3-N-(4-ethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-[2-(dimethylamino)ethyl]-3-N-(4-ethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109069641) is 1-N-[2-(dimethylamino)ethyl]-3-N-(4-ethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[2-(dimethylamino)ethyl]-3-N-(4-ethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[2-(dimethylamino)ethyl]-3-N-(4-ethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is CCOc1ccc(NC(=O)c2nc(C(=O)NCCN(C)C)c3ccccn23)cc1.
What is the InChIKey of 1-N-[2-(dimethylamino)ethyl]-3-N-(4-ethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is AUPLTWCXNMUJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-4-29-16-10-8-15(9-11-16)23-21(28)19-24-18(17-7-5-6-13-26(17)19)20(27)22-12-14-25(2)3/h5-11,13H,4,12,14H2,1-3H3,(H,22,27)(H,23,28).
What are the key properties of 1-N-[2-(dimethylamino)ethyl]-3-N-(4-ethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-[2-(dimethylamino)ethyl]-3-N-(4-ethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(dimethylamino)ethyl]-3-N-(4-ethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109069641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).