N-[(4-cyclopentylsulfanylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

C17H19N3O2S — CID 110794546

IUPACN-[(4-cyclopentylsulfanylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCc1ccc(SC2CCCC2)cc1)c1ccc(=O)[nH]n1
InChIInChI=1S/C17H19N3O2S/c21-16-10-9-15(19-20-16)17(22)18-11-12-5-7-14(8-6-12)23-13-3-1-2-4-13/h5-10,13H,1-4,11H2,(H,18,22)(H,20,21)
InChIKeyPOAIJYYQQQVWIT-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.73
Rot. Bonds5

About N-[(4-cyclopentylsulfanylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(4-cyclopentylsulfanylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 110794546) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[(4-cyclopentylsulfanylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyclopentylsulfanylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID110794546
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[(4-cyclopentylsulfanylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCc1ccc(SC2CCCC2)cc1)c1ccc(=O)[nH]n1
InChIInChI=1S/C17H19N3O2S/c21-16-10-9-15(19-20-16)17(22)18-11-12-5-7-14(8-6-12)23-13-3-1-2-4-13/h5-10,13H,1-4,11H2,(H,18,22)(H,20,21)
InChIKeyPOAIJYYQQQVWIT-UHFFFAOYSA-N
XLogP2.73
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-cyclopentylsulfanylphenyl)methyl]-6-oxo-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

6-oxo-N-[(4-phenylphenyl)methyl]-1H-pyridazine-3-carboxamide
CID 110793755
N-[(4-butylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110793511
6-oxo-N-(piperidin-2-ylmethyl)-1H-pyridazine-3-carboxamide
CID 103805977
N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110794473
N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 33277905
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 122263899
6-oxo-N-(piperidin-4-ylmethyl)-1H-pyridazine-3-carboxamide
CID 103805411
N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 106121318
6-oxo-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]-1H-pyridazine-3-carboxamide
CID 110794379
N-[(5-bromothiophen-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 38637755
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 154833370
N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110746157

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopentylsulfanylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(4-cyclopentylsulfanylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 110794546) is N-[(4-cyclopentylsulfanylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-cyclopentylsulfanylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(4-cyclopentylsulfanylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(NCc1ccc(SC2CCCC2)cc1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(4-cyclopentylsulfanylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is POAIJYYQQQVWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-16-10-9-15(19-20-16)17(22)18-11-12-5-7-14(8-6-12)23-13-3-1-2-4-13/h5-10,13H,1-4,11H2,(H,18,22)(H,20,21).
What are the key properties of N-[(4-cyclopentylsulfanylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(4-cyclopentylsulfanylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopentylsulfanylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110794546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).