2-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide

C17H20N4O5S — CID 109088653

IUPAC2-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
SMILESCCN(C(=O)c1cc(C(=O)Nc2cc(C)on2)ccn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H20N4O5S/c1-3-21(13-5-7-27(24,25)10-13)17(23)14-9-12(4-6-18-14)16(22)19-15-8-11(2)26-20-15/h4,6,8-9,13H,3,5,7,10H2,1-2H3,(H,19,20,22)
InChIKeySSTUQNNZWQZSNY-UHFFFAOYSA-N
MW392.44 g/mol
LogP1.28
Rot. Bonds5

About 2-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide

2-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide (PubChem CID 109088653) has the molecular formula C17H20N4O5S and a molecular weight of 392.44 g/mol. Its IUPAC name is 2-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
PubChem CID109088653
Molecular FormulaC17H20N4O5S
Molecular Weight392.44 g/mol
Exact Mass392.12
IUPAC Name2-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
SMILESCCN(C(=O)c1cc(C(=O)Nc2cc(C)on2)ccn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H20N4O5S/c1-3-21(13-5-7-27(24,25)10-13)17(23)14-9-12(4-6-18-14)16(22)19-15-8-11(2)26-20-15/h4,6,8-9,13H,3,5,7,10H2,1-2H3,(H,19,20,22)
InChIKeySSTUQNNZWQZSNY-UHFFFAOYSA-N
XLogP1.28
TPSA122.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-N-(1,1-dioxothiolan-3-yl)-3-N-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109055747
4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079803
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082837
2-N-[3-(dimethylamino)propyl]-4-N-(1,1-dioxothiolan-3-yl)-4-N-ethylpyridine-2,4-dicarboxamide
CID 109084037
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109159471
2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-4-carboxamide
CID 110853810
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109205296
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083250
3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109026846
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110413204
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167188
4-N-cyclopentyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109080854

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide?
The IUPAC name of 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) is 2-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide is CCN(C(=O)c1cc(C(=O)Nc2cc(C)on2)ccn1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide?
The InChIKey is SSTUQNNZWQZSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5S/c1-3-21(13-5-7-27(24,25)10-13)17(23)14-9-12(4-6-18-14)16(22)19-15-8-11(2)26-20-15/h4,6,8-9,13H,3,5,7,10H2,1-2H3,(H,19,20,22).
What are the key properties of 2-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide?
2-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide has a molecular weight of 392.44 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109088653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).