6-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide

C15H24N4O3S — CID 109123689

IUPAC6-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide
SMILESCCN(CC)c1ccc(C(=O)N(CC)C2CCS(=O)(=O)C2)nn1
InChIInChI=1S/C15H24N4O3S/c1-4-18(5-2)14-8-7-13(16-17-14)15(20)19(6-3)12-9-10-23(21,22)11-12/h7-8,12H,4-6,9-11H2,1-3H3
InChIKeyNCCXOLWUKQNANZ-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.97
Rot. Bonds6

About 6-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide

6-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide (PubChem CID 109123689) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is 6-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide
PubChem CID109123689
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name6-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide
SMILESCCN(CC)c1ccc(C(=O)N(CC)C2CCS(=O)(=O)C2)nn1
InChIInChI=1S/C15H24N4O3S/c1-4-18(5-2)14-8-7-13(16-17-14)15(20)19(6-3)12-9-10-23(21,22)11-12/h7-8,12H,4-6,9-11H2,1-3H3
InChIKeyNCCXOLWUKQNANZ-UHFFFAOYSA-N
XLogP0.97
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(N-methylanilino)pyridazine-3-carboxamide
CID 109123703
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide
CID 110697417
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111017
6-[2-(dimethylamino)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide
CID 109115190
2-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide
CID 109331915
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118020
4-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylbenzamide
CID 7259739
6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxylic acid
CID 54919450
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylnaphthalene-2-carboxamide
CID 9245593
2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-4-carboxamide
CID 110853810
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-phenyltriazole-4-carboxamide
CID 110702370
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-iodothiophene-3-carboxamide
CID 78948953

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide?
The IUPAC name of 6-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide (CID 109123689) is 6-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide?
The canonical SMILES for 6-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide is CCN(CC)c1ccc(C(=O)N(CC)C2CCS(=O)(=O)C2)nn1.
What is the InChIKey of 6-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide?
The InChIKey is NCCXOLWUKQNANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-4-18(5-2)14-8-7-13(16-17-14)15(20)19(6-3)12-9-10-23(21,22)11-12/h7-8,12H,4-6,9-11H2,1-3H3.
What are the key properties of 6-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide?
6-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide is sourced from PubChem (CID 109123689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).