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

C15H21N3O4S — CID 109094612

IUPAC6-N-butan-2-yl-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide
SMILESCCC(C)NC(=O)c1cccc(C(=O)NC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C15H21N3O4S/c1-3-10(2)16-14(19)12-5-4-6-13(18-12)15(20)17-11-7-8-23(21,22)9-11/h4-6,10-11H,3,7-9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeySHANQTIYHCBHQJ-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.53
Rot. Bonds5

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

6-N-butan-2-yl-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide (PubChem CID 109094612) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 6-N-butan-2-yl-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-butan-2-yl-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide
PubChem CID109094612
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name6-N-butan-2-yl-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide
SMILESCCC(C)NC(=O)c1cccc(C(=O)NC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C15H21N3O4S/c1-3-10(2)16-14(19)12-5-4-6-13(18-12)15(20)17-11-7-8-23(21,22)9-11/h4-6,10-11H,3,7-9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeySHANQTIYHCBHQJ-UHFFFAOYSA-N
XLogP0.53
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-butan-2-yl-2-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093809
6-N-(1,1-dioxothiolan-3-yl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109098728
N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109181435
6-N-(1,1-dioxothiolan-3-yl)-2-N-(3-methylphenyl)pyridine-2,6-dicarboxamide
CID 109098727
6-N-(1,1-dioxothiolan-3-yl)-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097427
2-N-(2,5-dimethylphenyl)-6-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide
CID 109098733
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-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097102
N-(1,1-dioxothian-4-yl)-6-(ethylamino)pyridine-2-carboxamide
CID 62238615
N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 110852783
N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109225158
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 17398664

Frequently Asked Questions

What is the IUPAC name of 6-N-butan-2-yl-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-butan-2-yl-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide (CID 109094612) is 6-N-butan-2-yl-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-butan-2-yl-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-butan-2-yl-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide is CCC(C)NC(=O)c1cccc(C(=O)NC2CCS(=O)(=O)C2)n1.
What is the InChIKey of 6-N-butan-2-yl-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide?
The InChIKey is SHANQTIYHCBHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-3-10(2)16-14(19)12-5-4-6-13(18-12)15(20)17-11-7-8-23(21,22)9-11/h4-6,10-11H,3,7-9H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 6-N-butan-2-yl-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide?
6-N-butan-2-yl-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide has a molecular weight of 339.42 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butan-2-yl-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109094612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).