4-[[6-(2-chlorophenyl)sulfanylpyridazine-3-carbonyl]amino]-4-methylpentanoic acid

C17H18ClN3O3S — CID 119357320

IUPAC4-[[6-(2-chlorophenyl)sulfanylpyridazine-3-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1ccc(Sc2ccccc2Cl)nn1
InChIInChI=1S/C17H18ClN3O3S/c1-17(2,10-9-15(22)23)19-16(24)12-7-8-14(21-20-12)25-13-6-4-3-5-11(13)18/h3-8H,9-10H2,1-2H3,(H,19,24)(H,22,23)
InChIKeyWLYWNYGIOYXPEE-UHFFFAOYSA-N
MW379.87 g/mol
LogP3.65
Rot. Bonds7

About 4-[[6-(2-chlorophenyl)sulfanylpyridazine-3-carbonyl]amino]-4-methylpentanoic acid

4-[[6-(2-chlorophenyl)sulfanylpyridazine-3-carbonyl]amino]-4-methylpentanoic acid (PubChem CID 119357320) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is 4-[[6-(2-chlorophenyl)sulfanylpyridazine-3-carbonyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[6-(2-chlorophenyl)sulfanylpyridazine-3-carbonyl]amino]-4-methylpentanoic acid
PubChem CID119357320
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC Name4-[[6-(2-chlorophenyl)sulfanylpyridazine-3-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1ccc(Sc2ccccc2Cl)nn1
InChIInChI=1S/C17H18ClN3O3S/c1-17(2,10-9-15(22)23)19-16(24)12-7-8-14(21-20-12)25-13-6-4-3-5-11(13)18/h3-8H,9-10H2,1-2H3,(H,19,24)(H,22,23)
InChIKeyWLYWNYGIOYXPEE-UHFFFAOYSA-N
XLogP3.65
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[6-(2-chlorophenyl)sulfanylpyridazine-3-carbonyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

N-(3-aminobutyl)-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide;hydrochloride
CID 119498507
4-[2-(2-chlorophenyl)sulfanylpropanoylamino]-4-methylpentanoic acid
CID 119203693
N-[2-(3-amino-3-oxopropoxy)phenyl]-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide
CID 71871538
6-(2-chlorophenyl)sulfanyl-N-(3-methylpiperidin-4-yl)pyridazine-3-carboxamide;hydrochloride
CID 120557782
6-(2-chlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)pyridazine-3-carboxamide
CID 119513560
4-[(2-chloro-6-nitrobenzoyl)amino]-4-methylpentanoic acid
CID 63660344
4-[[1-(3-chloro-2-fluorophenyl)triazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 120519463
azetidin-1-yl-[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]methanone
CID 71867029
4-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 119203967
[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]-(1,4-diazepan-1-yl)methanone
CID 119417617
4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 112701096
6-(2-chlorophenyl)sulfanyl-N-(1-methyl-2-oxopiperidin-4-yl)pyridazine-3-carboxamide
CID 102562430

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2-chlorophenyl)sulfanylpyridazine-3-carbonyl]amino]-4-methylpentanoic acid?
The IUPAC name of 4-[[6-(2-chlorophenyl)sulfanylpyridazine-3-carbonyl]amino]-4-methylpentanoic acid (CID 119357320) is 4-[[6-(2-chlorophenyl)sulfanylpyridazine-3-carbonyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[6-(2-chlorophenyl)sulfanylpyridazine-3-carbonyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[6-(2-chlorophenyl)sulfanylpyridazine-3-carbonyl]amino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)c1ccc(Sc2ccccc2Cl)nn1.
What is the InChIKey of 4-[[6-(2-chlorophenyl)sulfanylpyridazine-3-carbonyl]amino]-4-methylpentanoic acid?
The InChIKey is WLYWNYGIOYXPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c1-17(2,10-9-15(22)23)19-16(24)12-7-8-14(21-20-12)25-13-6-4-3-5-11(13)18/h3-8H,9-10H2,1-2H3,(H,19,24)(H,22,23).
What are the key properties of 4-[[6-(2-chlorophenyl)sulfanylpyridazine-3-carbonyl]amino]-4-methylpentanoic acid?
4-[[6-(2-chlorophenyl)sulfanylpyridazine-3-carbonyl]amino]-4-methylpentanoic acid has a molecular weight of 379.87 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2-chlorophenyl)sulfanylpyridazine-3-carbonyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119357320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).