N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

C16H24N4O3S — CID 109230266

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCN1CCN(c2cncc(C(=O)N(C)C3CCS(=O)(=O)C3)c2)CC1
InChIInChI=1S/C16H24N4O3S/c1-18-4-6-20(7-5-18)15-9-13(10-17-11-15)16(21)19(2)14-3-8-24(22,23)12-14/h9-11,14H,3-8,12H2,1-2H3
InChIKeyIOFFUKQUWRAEBX-UHFFFAOYSA-N
MW352.46 g/mol
LogP0.09
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 109230266) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID109230266
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCN1CCN(c2cncc(C(=O)N(C)C3CCS(=O)(=O)C3)c2)CC1
InChIInChI=1S/C16H24N4O3S/c1-18-4-6-20(7-5-18)15-9-13(10-17-11-15)16(21)19(2)14-3-8-24(22,23)12-14/h9-11,14H,3-8,12H2,1-2H3
InChIKeyIOFFUKQUWRAEBX-UHFFFAOYSA-N
XLogP0.09
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102873
3-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109106538
3-N-tert-butyl-5-N-(1,1-dioxothiolan-3-yl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109106531
5-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide
CID 109237342
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249417
2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide
CID 43410879
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)-5-(4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109237368
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109237364
5-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid;trihydrochloride
CID 90489074
5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 60636354
4-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 109209169

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide (CID 109230266) is N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide is CN1CCN(c2cncc(C(=O)N(C)C3CCS(=O)(=O)C3)c2)CC1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is IOFFUKQUWRAEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-18-4-6-20(7-5-18)15-9-13(10-17-11-15)16(21)19(2)14-3-8-24(22,23)12-14/h9-11,14H,3-8,12H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 0.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109230266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).