N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]pyridine-3-carboxamide

C15H17N5O3S — CID 113043019

IUPACN-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]pyridine-3-carboxamide
SMILESCN(c1ccc(NC(=O)c2cccnc2)nn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H17N5O3S/c1-20(12-6-8-24(22,23)10-12)14-5-4-13(18-19-14)17-15(21)11-3-2-7-16-9-11/h2-5,7,9,12H,6,8,10H2,1H3,(H,17,18,21)
InChIKeyOFSWNPAYCDKRPU-UHFFFAOYSA-N
MW347.40 g/mol
LogP0.75
Rot. Bonds4

About N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]pyridine-3-carboxamide

N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]pyridine-3-carboxamide (PubChem CID 113043019) has the molecular formula C15H17N5O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]pyridine-3-carboxamide
PubChem CID113043019
Molecular FormulaC15H17N5O3S
Molecular Weight347.40 g/mol
Exact Mass347.11
IUPAC NameN-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]pyridine-3-carboxamide
SMILESCN(c1ccc(NC(=O)c2cccnc2)nn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H17N5O3S/c1-20(12-6-8-24(22,23)10-12)14-5-4-13(18-19-14)17-15(21)11-3-2-7-16-9-11/h2-5,7,9,12H,6,8,10H2,1H3,(H,17,18,21)
InChIKeyOFSWNPAYCDKRPU-UHFFFAOYSA-N
XLogP0.75
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]pyridine-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

N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-3,4-difluorobenzamide
CID 113043023
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-2-methoxybenzamide
CID 113043003
1-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-3-propan-2-ylurea
CID 113043036
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]methanesulfonamide
CID 113043038
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109159471
N-tert-butyl-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide
CID 109122927
N-(4-chlorophenyl)-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide
CID 109122960
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109159423
6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxylic acid
CID 54919450
N-[6-(propan-2-ylamino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113037962
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109122939
N-[2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]ethyl]pyridine-3-carboxamide
CID 113067780

Frequently Asked Questions

What is the IUPAC name of N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]pyridine-3-carboxamide (CID 113043019) is N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]pyridine-3-carboxamide is CN(c1ccc(NC(=O)c2cccnc2)nn1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]pyridine-3-carboxamide?
The InChIKey is OFSWNPAYCDKRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S/c1-20(12-6-8-24(22,23)10-12)14-5-4-13(18-19-14)17-15(21)11-3-2-7-16-9-11/h2-5,7,9,12H,6,8,10H2,1H3,(H,17,18,21).
What are the key properties of N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]pyridine-3-carboxamide?
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]pyridine-3-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 113043019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).