4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide

C17H19N3OS — CID 154842057

IUPAC4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)NC3CSCC3C)cc2)nn1
InChIInChI=1S/C17H19N3OS/c1-11-9-22-10-16(11)18-17(21)14-6-4-13(5-7-14)15-8-3-12(2)19-20-15/h3-8,11,16H,9-10H2,1-2H3,(H,18,21)
InChIKeyBDJQGQZYRXCMNE-UHFFFAOYSA-N
MW313.43 g/mol
LogP2.93
Rot. Bonds3

About 4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide

4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide (PubChem CID 154842057) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide.

Molecular Properties

Compound Name4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide
PubChem CID154842057
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)NC3CSCC3C)cc2)nn1
InChIInChI=1S/C17H19N3OS/c1-11-9-22-10-16(11)18-17(21)14-6-4-13(5-7-14)15-8-3-12(2)19-20-15/h3-8,11,16H,9-10H2,1-2H3,(H,18,21)
InChIKeyBDJQGQZYRXCMNE-UHFFFAOYSA-N
XLogP2.93
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,3S)-3-carbamoylcyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide
CID 136583062
4-(6-methylpyridazin-3-yl)benzoic acid
CID 53426337
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide
CID 146110356
N-(3-cyclohexyloxypropyl)-4-(6-methylpyridazin-3-yl)benzamide
CID 119058692
N-cycloheptyl-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320738
4-iodo-N-(2-methylcyclopropyl)benzamide
CID 58185353
N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-4-(6-methylpyridazin-3-yl)benzamide
CID 167833342
N-cyclopentyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035075
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
N-cyclohexyl-4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]-3-[4-(6-methylpyridazin-3-yl)phenoxy]benzamide
CID 118465336
N-(2,3-dimethylcyclohexyl)-4-pyridin-2-ylbenzamide
CID 59673793
1-methyl-4-[[[4-(6-methylpyridazin-3-yl)benzoyl]amino]methyl]pyrazole-5-carboxylic acid
CID 167822125

Frequently Asked Questions

What is the IUPAC name of 4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide?
The IUPAC name of 4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide (CID 154842057) is 4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide.
What is the SMILES notation for 4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide?
The canonical SMILES for 4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide is Cc1ccc(-c2ccc(C(=O)NC3CSCC3C)cc2)nn1.
What is the InChIKey of 4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide?
The InChIKey is BDJQGQZYRXCMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-11-9-22-10-16(11)18-17(21)14-6-4-13(5-7-14)15-8-3-12(2)19-20-15/h3-8,11,16H,9-10H2,1-2H3,(H,18,21).
What are the key properties of 4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide?
4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide has a molecular weight of 313.43 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide is sourced from PubChem (CID 154842057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).