N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide

C20H22N6O2 — CID 86915581

IUPACN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
SMILESCc1oc(NC(=O)CN2CCC(c3nnc4ccccn34)CC2)c(C#N)c1C
InChIInChI=1S/C20H22N6O2/c1-13-14(2)28-20(16(13)11-21)22-18(27)12-25-9-6-15(7-10-25)19-24-23-17-5-3-4-8-26(17)19/h3-5,8,15H,6-7,9-10,12H2,1-2H3,(H,22,27)
InChIKeyPUKPIUVMEFXTIV-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.63
Rot. Bonds4

About N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide (PubChem CID 86915581) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
PubChem CID86915581
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
SMILESCc1oc(NC(=O)CN2CCC(c3nnc4ccccn34)CC2)c(C#N)c1C
InChIInChI=1S/C20H22N6O2/c1-13-14(2)28-20(16(13)11-21)22-18(27)12-25-9-6-15(7-10-25)19-24-23-17-5-3-4-8-26(17)19/h3-5,8,15H,6-7,9-10,12H2,1-2H3,(H,22,27)
InChIKeyPUKPIUVMEFXTIV-UHFFFAOYSA-N
XLogP2.63
TPSA99.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 86908992
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 86915610
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681461
N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 78818249
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]acetamide
CID 71878529
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 78818259
N-(2-ethylphenyl)-2-[[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]amino]acetamide
CID 78818292
N-(3-methoxyphenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 95188322
N-(2,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 78818080
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
CID 46402825
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 18135579
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 46689396

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide (CID 86915581) is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide is Cc1oc(NC(=O)CN2CCC(c3nnc4ccccn34)CC2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide?
The InChIKey is PUKPIUVMEFXTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-13-14(2)28-20(16(13)11-21)22-18(27)12-25-9-6-15(7-10-25)19-24-23-17-5-3-4-8-26(17)19/h3-5,8,15H,6-7,9-10,12H2,1-2H3,(H,22,27).
What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide?
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide has a molecular weight of 378.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 86915581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).