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

C20H22N4O3 — CID 109068569

IUPAC1-N-cyclohexyl-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESO=C(NC1CCCCC1)c1nc(C(=O)NCc2ccco2)n2ccccc12
InChIInChI=1S/C20H22N4O3/c25-19(22-14-7-2-1-3-8-14)17-16-10-4-5-11-24(16)18(23-17)20(26)21-13-15-9-6-12-27-15/h4-6,9-12,14H,1-3,7-8,13H2,(H,21,26)(H,22,25)
InChIKeyMKKJNCUAEVIGRM-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.92
Rot. Bonds5

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

1-N-cyclohexyl-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109068569) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-N-cyclohexyl-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109068569
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name1-N-cyclohexyl-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESO=C(NC1CCCCC1)c1nc(C(=O)NCc2ccco2)n2ccccc12
InChIInChI=1S/C20H22N4O3/c25-19(22-14-7-2-1-3-8-14)17-16-10-4-5-11-24(16)18(23-17)20(26)21-13-15-9-6-12-27-15/h4-6,9-12,14H,1-3,7-8,13H2,(H,21,26)(H,22,25)
InChIKeyMKKJNCUAEVIGRM-UHFFFAOYSA-N
XLogP2.92
TPSA88.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-cyclohexyl-1-N-cyclopentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068157
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-(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
1-N-(furan-2-ylmethyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070128
1-(2-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109070184
1-N-[3-(dimethylamino)propyl]-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069770
3-N-cyclohexyl-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067383
1-N-[(4-chlorophenyl)methyl]-3-N-cyclopentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068281
3-N-(furan-2-ylmethyl)-1-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070210
3-N-cyclohexyl-1-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068639
1-N-benzyl-3-N-cyclopropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066660

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109068569) is 1-N-cyclohexyl-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is O=C(NC1CCCCC1)c1nc(C(=O)NCc2ccco2)n2ccccc12.
What is the InChIKey of 1-N-cyclohexyl-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is MKKJNCUAEVIGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c25-19(22-14-7-2-1-3-8-14)17-16-10-4-5-11-24(16)18(23-17)20(26)21-13-15-9-6-12-27-15/h4-6,9-12,14H,1-3,7-8,13H2,(H,21,26)(H,22,25).
What are the key properties of 1-N-cyclohexyl-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-cyclohexyl-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109068569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).