4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide

C17H25N3O4S — CID 109079803

IUPAC4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
SMILESCCN(C(=O)c1ccnc(C(=O)NCC(C)C)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H25N3O4S/c1-4-20(14-6-8-25(23,24)11-14)17(22)13-5-7-18-15(9-13)16(21)19-10-12(2)3/h5,7,9,12,14H,4,6,8,10-11H2,1-3H3,(H,19,21)
InChIKeyCEXBXMGBGVIWGE-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.12
Rot. Bonds6

About 4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide

4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide (PubChem CID 109079803) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
PubChem CID109079803
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
SMILESCCN(C(=O)c1ccnc(C(=O)NCC(C)C)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H25N3O4S/c1-4-20(14-6-8-25(23,24)11-14)17(22)13-5-7-18-15(9-13)16(21)19-10-12(2)3/h5,7,9,12,14H,4,6,8,10-11H2,1-3H3,(H,19,21)
InChIKeyCEXBXMGBGVIWGE-UHFFFAOYSA-N
XLogP1.12
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide with MolForge

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Related Compounds

2-N-[3-(dimethylamino)propyl]-4-N-(1,1-dioxothiolan-3-yl)-4-N-ethylpyridine-2,4-dicarboxamide
CID 109084037
2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-4-carboxamide
CID 110853810
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082837
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109296932
2-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109088653
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167188
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111017
2-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-4-carboxamide
CID 109174101
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109361984
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109205296
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110694235
2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078058

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide (CID 109079803) is 4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide is CCN(C(=O)c1ccnc(C(=O)NCC(C)C)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of 4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
The InChIKey is CEXBXMGBGVIWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-4-20(14-6-8-25(23,24)11-14)17(22)13-5-7-18-15(9-13)16(21)19-10-12(2)3/h5,7,9,12,14H,4,6,8,10-11H2,1-3H3,(H,19,21).
What are the key properties of 4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide has a molecular weight of 367.47 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).