N-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C17H21N3O5S — CID 46569685

IUPACN-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(C1=NN(C2CCS(=O)(=O)C2)C(=O)CC1)N(Cc1ccco1)C1CC1
InChIInChI=1S/C17H21N3O5S/c21-16-6-5-15(18-20(16)13-7-9-26(23,24)11-13)17(22)19(12-3-4-12)10-14-2-1-8-25-14/h1-2,8,12-13H,3-7,9-11H2
InChIKeyCGUULSSWUAFSDV-UHFFFAOYSA-N
MW379.44 g/mol
LogP0.94
Rot. Bonds5

About N-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 46569685) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID46569685
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC NameN-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(C1=NN(C2CCS(=O)(=O)C2)C(=O)CC1)N(Cc1ccco1)C1CC1
InChIInChI=1S/C17H21N3O5S/c21-16-6-5-15(18-20(16)13-7-9-26(23,24)11-13)17(22)19(12-3-4-12)10-14-2-1-8-25-14/h1-2,8,12-13H,3-7,9-11H2
InChIKeyCGUULSSWUAFSDV-UHFFFAOYSA-N
XLogP0.94
TPSA100.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-N-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 30970827
1-cyclopropyl-3-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)urea
CID 51084236
N-benzyl-1-(1,1-dioxothiolan-3-yl)-N-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 43030157
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 7546676
1-(1,1-dioxothiolan-3-yl)-N-methyl-6-oxo-N-[(2-pyrrolidin-1-ylphenyl)methyl]-4,5-dihydropyridazine-3-carboxamide
CID 55415571
1-[(3S)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]-6-oxo-N-prop-2-enyl-4,5-dihydropyridazine-3-carboxamide
CID 52713074
1-[(3S)-1,1-dioxothiolan-3-yl]-N-(3-methoxypropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 30282687
1-(1,1-dioxothiolan-3-yl)-N-[3-(2-fluorophenoxy)propyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 46452054
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide
CID 55361455
1-(1,1-dioxothiolan-3-yl)-6-oxo-N-(pyridin-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide
CID 53369622
2-(2-fluorophenoxy)ethyl 1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 42899236
1-(1,1-dioxothiolan-3-yl)-N-(3-hydroxy-3-phenylbutyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 86817163

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 46569685) is N-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is O=C(C1=NN(C2CCS(=O)(=O)C2)C(=O)CC1)N(Cc1ccco1)C1CC1.
What is the InChIKey of N-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is CGUULSSWUAFSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c21-16-6-5-15(18-20(16)13-7-9-26(23,24)11-13)17(22)19(12-3-4-12)10-14-2-1-8-25-14/h1-2,8,12-13H,3-7,9-11H2.
What are the key properties of N-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 46569685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).