N-(1,1-dioxothiolan-3-yl)-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C14H20N4O3S — CID 109111762

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(N2CCCC2)nn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H20N4O3S/c1-17(11-6-9-22(20,21)10-11)14(19)12-4-5-13(16-15-12)18-7-2-3-8-18/h4-5,11H,2-3,6-10H2,1H3
InChIKeyAKZDUSWRSKDNIE-UHFFFAOYSA-N
MW324.41 g/mol
LogP0.34
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 109111762) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID109111762
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(N2CCCC2)nn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H20N4O3S/c1-17(11-6-9-22(20,21)10-11)14(19)12-4-5-13(16-15-12)18-7-2-3-8-18/h4-5,11H,2-3,6-10H2,1H3
InChIKeyAKZDUSWRSKDNIE-UHFFFAOYSA-N
XLogP0.34
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide
CID 109123005
6-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide
CID 113200172
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109298262
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249417
5-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide
CID 109279189
6-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide
CID 109345883
4-(azepane-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 109088416
N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 154796728
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
6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxylic acid
CID 54919450
N-methyl-N-phenyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111797
6-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 62240492

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 109111762) is N-(1,1-dioxothiolan-3-yl)-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide is CN(C(=O)c1ccc(N2CCCC2)nn1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is AKZDUSWRSKDNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-17(11-6-9-22(20,21)10-11)14(19)12-4-5-13(16-15-12)18-7-2-3-8-18/h4-5,11H,2-3,6-10H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 0.34, 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-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 109111762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).