2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-cyclohexylacetamide

C18H21N3O3S — CID 2941317

IUPAC2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-cyclohexylacetamide
SMILESN#CC1=C(SCC(=O)NC2CCCCC2)NC(=O)CC1c1ccco1
InChIInChI=1S/C18H21N3O3S/c19-10-14-13(15-7-4-8-24-15)9-16(22)21-18(14)25-11-17(23)20-12-5-2-1-3-6-12/h4,7-8,12-13H,1-3,5-6,9,11H2,(H,20,23)(H,21,22)
InChIKeyKWCVBWUSCSIYCV-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.80
Rot. Bonds5

About 2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-cyclohexylacetamide

2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-cyclohexylacetamide (PubChem CID 2941317) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-cyclohexylacetamide
PubChem CID2941317
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-cyclohexylacetamide
SMILESN#CC1=C(SCC(=O)NC2CCCCC2)NC(=O)CC1c1ccco1
InChIInChI=1S/C18H21N3O3S/c19-10-14-13(15-7-4-8-24-15)9-16(22)21-18(14)25-11-17(23)20-12-5-2-1-3-6-12/h4,7-8,12-13H,1-3,5-6,9,11H2,(H,20,23)(H,21,22)
InChIKeyKWCVBWUSCSIYCV-UHFFFAOYSA-N
XLogP2.80
TPSA95.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-cyclohexylacetamide?
The IUPAC name of 2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-cyclohexylacetamide (CID 2941317) is 2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-cyclohexylacetamide is N#CC1=C(SCC(=O)NC2CCCCC2)NC(=O)CC1c1ccco1.
What is the InChIKey of 2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-cyclohexylacetamide?
The InChIKey is KWCVBWUSCSIYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c19-10-14-13(15-7-4-8-24-15)9-16(22)21-18(14)25-11-17(23)20-12-5-2-1-3-6-12/h4,7-8,12-13H,1-3,5-6,9,11H2,(H,20,23)(H,21,22).
What are the key properties of 2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-cyclohexylacetamide?
2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-cyclohexylacetamide has a molecular weight of 359.45 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-cyclohexylacetamide is sourced from PubChem (CID 2941317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).