6-N-(1,1-dioxothiolan-3-yl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide

C16H17N3O5S — CID 109097102

IUPAC6-N-(1,1-dioxothiolan-3-yl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
SMILESO=C(NCc1ccco1)c1cccc(C(=O)NC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C16H17N3O5S/c20-15(17-9-12-3-2-7-24-12)13-4-1-5-14(19-13)16(21)18-11-6-8-25(22,23)10-11/h1-5,7,11H,6,8-10H2,(H,17,20)(H,18,21)
InChIKeyNFHVDFKARSNKMW-UHFFFAOYSA-N
MW363.40 g/mol
LogP0.52
Rot. Bonds5

About 6-N-(1,1-dioxothiolan-3-yl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide

6-N-(1,1-dioxothiolan-3-yl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide (PubChem CID 109097102) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is 6-N-(1,1-dioxothiolan-3-yl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(1,1-dioxothiolan-3-yl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
PubChem CID109097102
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name6-N-(1,1-dioxothiolan-3-yl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
SMILESO=C(NCc1ccco1)c1cccc(C(=O)NC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C16H17N3O5S/c20-15(17-9-12-3-2-7-24-12)13-4-1-5-14(19-13)16(21)18-11-6-8-25(22,23)10-11/h1-5,7,11H,6,8-10H2,(H,17,20)(H,18,21)
InChIKeyNFHVDFKARSNKMW-UHFFFAOYSA-N
XLogP0.52
TPSA118.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(1,1-dioxothiolan-3-yl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097820
6-N-(1,1-dioxothiolan-3-yl)-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097427
2-[(1,1-dioxothiolan-3-yl)amino]-N-(furan-2-ylmethyl)acetamide
CID 108996316
6-N-butan-2-yl-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide
CID 109094612
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109326945
3-[[[[(1,1-dioxothiolan-3-yl)amino]-(ethylamino)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide
CID 111140872
6-N-(1,1-dioxothiolan-3-yl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109098728
2-N-cyclopentyl-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109080870
6-N-(1,1-dioxothiolan-3-yl)-2-N-(3-methylphenyl)pyridine-2,6-dicarboxamide
CID 109098727
6-N-benzyl-2-N-(furan-2-ylmethyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109097118
N-[3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 51981184
6-(4-acetylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109097000

Frequently Asked Questions

What is the IUPAC name of 6-N-(1,1-dioxothiolan-3-yl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(1,1-dioxothiolan-3-yl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide (CID 109097102) is 6-N-(1,1-dioxothiolan-3-yl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(1,1-dioxothiolan-3-yl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(1,1-dioxothiolan-3-yl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide is O=C(NCc1ccco1)c1cccc(C(=O)NC2CCS(=O)(=O)C2)n1.
What is the InChIKey of 6-N-(1,1-dioxothiolan-3-yl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide?
The InChIKey is NFHVDFKARSNKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c20-15(17-9-12-3-2-7-24-12)13-4-1-5-14(19-13)16(21)18-11-6-8-25(22,23)10-11/h1-5,7,11H,6,8-10H2,(H,17,20)(H,18,21).
What are the key properties of 6-N-(1,1-dioxothiolan-3-yl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide?
6-N-(1,1-dioxothiolan-3-yl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide has a molecular weight of 363.40 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1,1-dioxothiolan-3-yl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109097102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).