4-N-tert-butyl-2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,4-dicarboxamide

C16H23N3O4S — CID 109088408

IUPAC4-N-tert-butyl-2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,4-dicarboxamide
SMILESCN(C(=O)c1cc(C(=O)NC(C)(C)C)ccn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H23N3O4S/c1-16(2,3)18-14(20)11-5-7-17-13(9-11)15(21)19(4)12-6-8-24(22,23)10-12/h5,7,9,12H,6,8,10H2,1-4H3,(H,18,20)
InChIKeyFFYPYRSKDVUOHV-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.87
Rot. Bonds3

About 4-N-tert-butyl-2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,4-dicarboxamide

4-N-tert-butyl-2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,4-dicarboxamide (PubChem CID 109088408) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is 4-N-tert-butyl-2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-tert-butyl-2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,4-dicarboxamide
PubChem CID109088408
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name4-N-tert-butyl-2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,4-dicarboxamide
SMILESCN(C(=O)c1cc(C(=O)NC(C)(C)C)ccn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H23N3O4S/c1-16(2,3)18-14(20)11-5-7-17-13(9-11)15(21)19(4)12-6-8-24(22,23)10-12/h5,7,9,12H,6,8,10H2,1-4H3,(H,18,20)
InChIKeyFFYPYRSKDVUOHV-UHFFFAOYSA-N
XLogP0.87
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-tert-butyl-2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,4-dicarboxamide with MolForge

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Related Compounds

2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078058
3-N-tert-butyl-5-N-(1,1-dioxothiolan-3-yl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109106531
4-(azepane-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 109088416
4-N-(1,1-dioxothiolan-3-yl)-4-N-methyl-2-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109088395
N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethylamino)-N-methylpyridine-2-carboxamide
CID 109205878
4-(cyclopentylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 109204215
4-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 109209169
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109214999
4-(3-chloro-4-fluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 109215038
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109300733
N-tert-butyl-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide
CID 109122927

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-tert-butyl-2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,4-dicarboxamide (CID 109088408) is 4-N-tert-butyl-2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-tert-butyl-2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-tert-butyl-2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,4-dicarboxamide is CN(C(=O)c1cc(C(=O)NC(C)(C)C)ccn1)C1CCS(=O)(=O)C1.
What is the InChIKey of 4-N-tert-butyl-2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,4-dicarboxamide?
The InChIKey is FFYPYRSKDVUOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-16(2,3)18-14(20)11-5-7-17-13(9-11)15(21)19(4)12-6-8-24(22,23)10-12/h5,7,9,12H,6,8,10H2,1-4H3,(H,18,20).
What are the key properties of 4-N-tert-butyl-2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,4-dicarboxamide?
4-N-tert-butyl-2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,4-dicarboxamide has a molecular weight of 353.44 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109088408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).