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

C18H15N3O3S — CID 2841219

IUPAC2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide
SMILESN#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)CC1c1ccco1
InChIInChI=1S/C18H15N3O3S/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/h1-8,13H,9,11H2,(H,20,23)(H,21,22)
InChIKeyDYAHNNQSIHWHBW-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.99
Rot. Bonds5

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

2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide (PubChem CID 2841219) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide
PubChem CID2841219
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide
SMILESN#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)CC1c1ccco1
InChIInChI=1S/C18H15N3O3S/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/h1-8,13H,9,11H2,(H,20,23)(H,21,22)
InChIKeyDYAHNNQSIHWHBW-UHFFFAOYSA-N
XLogP2.99
TPSA95.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.99
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-phenylacetamide?
The IUPAC name of 2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide (CID 2841219) is 2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide 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-phenylacetamide?
The InChIKey is DYAHNNQSIHWHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/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/h1-8,13H,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-phenylacetamide?
2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 353.40 g/mol, XLogP of 2.99, 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-phenylacetamide is sourced from PubChem (CID 2841219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).