N-[6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide

C17H20N4O3S — CID 42139239

IUPACN-[6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide
SMILESCCC(=O)Nc1ccc(SCC(=O)NCc2cccc(OC)c2)nn1
InChIInChI=1S/C17H20N4O3S/c1-3-15(22)19-14-7-8-17(21-20-14)25-11-16(23)18-10-12-5-4-6-13(9-12)24-2/h4-9H,3,10-11H2,1-2H3,(H,18,23)(H,19,20,22)
InChIKeyITRJTTAYWOQERA-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.24
Rot. Bonds8

About N-[6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide

N-[6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide (PubChem CID 42139239) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide.

Molecular Properties

Compound NameN-[6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide
PubChem CID42139239
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-[6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide
SMILESCCC(=O)Nc1ccc(SCC(=O)NCc2cccc(OC)c2)nn1
InChIInChI=1S/C17H20N4O3S/c1-3-15(22)19-14-7-8-17(21-20-14)25-11-16(23)18-10-12-5-4-6-13(9-12)24-2/h4-9H,3,10-11H2,1-2H3,(H,18,23)(H,19,20,22)
InChIKeyITRJTTAYWOQERA-UHFFFAOYSA-N
XLogP2.24
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-2-((6-(3-methoxyphenyl)pyridazin-3-yl)thio)acetamide
CID 7206214
2-((6-(3-methoxyphenyl)pyridazin-3-yl)thio)-N-phenethylacetamide
CID 7502868
US10344025, Example 600
CID 118640802
US10344025, Example 599
CID 118640810
N-(4-Methoxyphenyl)-1-{6-[(4-methylphenyl)sulfanyl]pyridazin-3-YL}piperidine-4-carboxamide
CID 15988469
N-cyclopentyl-2-((6-(3-methoxyphenyl)pyridazin-3-yl)thio)acetamide
CID 7206215
N-{6-[({[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}-2-methylpropanamide
CID 25855523
3-fluoro-N-(6-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)pyridazin-3-yl)benzamide
CID 42138388
3-fluoro-N-(6-((2-((2-methoxybenzyl)amino)-2-oxoethyl)thio)pyridazin-3-yl)benzamide
CID 42138442
3-fluoro-N-(6-((2-((3-methoxybenzyl)amino)-2-oxoethyl)thio)pyridazin-3-yl)benzamide
CID 42138447
2-((6-acetamidopyridazin-3-yl)thio)-N-(2-methoxy-5-(trifluoromethyl)phenyl)acetamide
CID 42138989
2-((6-acetamidopyridazin-3-yl)thio)-N-(4-(trifluoromethoxy)phenyl)acetamide
CID 42138991

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide?
The IUPAC name of N-[6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide (CID 42139239) is N-[6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide.
What is the SMILES notation for N-[6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide?
The canonical SMILES for N-[6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide is CCC(=O)Nc1ccc(SCC(=O)NCc2cccc(OC)c2)nn1.
What is the InChIKey of N-[6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide?
The InChIKey is ITRJTTAYWOQERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-3-15(22)19-14-7-8-17(21-20-14)25-11-16(23)18-10-12-5-4-6-13(9-12)24-2/h4-9H,3,10-11H2,1-2H3,(H,18,23)(H,19,20,22).
What are the key properties of N-[6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide?
N-[6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide has a molecular weight of 360.44 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide is sourced from PubChem (CID 42139239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).