N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C12H15N3O2S — CID 113223204

IUPACN-[(5-ethylthiophen-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCc1ccc(CNC(=O)C2=NNC(=O)CC2)s1
InChIInChI=1S/C12H15N3O2S/c1-2-8-3-4-9(18-8)7-13-12(17)10-5-6-11(16)15-14-10/h3-4H,2,5-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyUHJHNJYSVWIFPS-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.19
Rot. Bonds4

About N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 113223204) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID113223204
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCc1ccc(CNC(=O)C2=NNC(=O)CC2)s1
InChIInChI=1S/C12H15N3O2S/c1-2-8-3-4-9(18-8)7-13-12(17)10-5-6-11(16)15-14-10/h3-4H,2,5-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyUHJHNJYSVWIFPS-UHFFFAOYSA-N
XLogP1.19
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-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-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 106375981
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60979295
6-oxo-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793378
N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 46475867
N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazole-5-carboxamide
CID 106011879
N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110794021
N-[(4-cyclopentyloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793798
N-(5-methyl-1,2-oxazol-3-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43401158
N-[(5-ethylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 113257144
N-(4-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 22107791
N-[(5-ethylthiophen-2-yl)methyl]-2,6-dihydroxybenzamide
CID 103749033
6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397681

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 113223204) is N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CCc1ccc(CNC(=O)C2=NNC(=O)CC2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is UHJHNJYSVWIFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-2-8-3-4-9(18-8)7-13-12(17)10-5-6-11(16)15-14-10/h3-4H,2,5-7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 113223204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).