1-N-[3-(dimethylamino)propyl]-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C19H23N5O3 — CID 109069770

IUPAC1-N-[3-(dimethylamino)propyl]-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCN(C)CCCNC(=O)c1nc(C(=O)NCc2ccco2)n2ccccc12
InChIInChI=1S/C19H23N5O3/c1-23(2)10-6-9-20-18(25)16-15-8-3-4-11-24(15)17(22-16)19(26)21-13-14-7-5-12-27-14/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyZMYFTVXKMGWOIE-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.54
Rot. Bonds8

About 1-N-[3-(dimethylamino)propyl]-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-[3-(dimethylamino)propyl]-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109069770) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-N-[3-(dimethylamino)propyl]-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[3-(dimethylamino)propyl]-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109069770
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name1-N-[3-(dimethylamino)propyl]-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCN(C)CCCNC(=O)c1nc(C(=O)NCc2ccco2)n2ccccc12
InChIInChI=1S/C19H23N5O3/c1-23(2)10-6-9-20-18(25)16-15-8-3-4-11-24(15)17(22-16)19(26)21-13-14-7-5-12-27-14/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyZMYFTVXKMGWOIE-UHFFFAOYSA-N
XLogP1.54
TPSA91.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-N-(furan-2-ylmethyl)-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068870
1-N-(furan-2-ylmethyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070128
1-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070124
3-N-(furan-2-ylmethyl)-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070188
3-N-benzyl-1-N-(furan-2-ylmethyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070118
1-N-butyl-3-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067130
1-N-cyclohexyl-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068569
3-N-(furan-2-ylmethyl)-1-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070210
3-ethyl-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110674625
1-N-[3-(dimethylamino)propyl]-3-N-(4-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069806
3-N-(2,4-dimethylphenyl)-1-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070141
1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069795

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(dimethylamino)propyl]-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-[3-(dimethylamino)propyl]-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109069770) is 1-N-[3-(dimethylamino)propyl]-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[3-(dimethylamino)propyl]-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[3-(dimethylamino)propyl]-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is CN(C)CCCNC(=O)c1nc(C(=O)NCc2ccco2)n2ccccc12.
What is the InChIKey of 1-N-[3-(dimethylamino)propyl]-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is ZMYFTVXKMGWOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-23(2)10-6-9-20-18(25)16-15-8-3-4-11-24(15)17(22-16)19(26)21-13-14-7-5-12-27-14/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,20,25)(H,21,26).
What are the key properties of 1-N-[3-(dimethylamino)propyl]-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-[3-(dimethylamino)propyl]-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 369.43 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(dimethylamino)propyl]-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109069770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).