N'-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]pyridine-3-carbohydrazide

C19H22N4O5S — CID 43002278

IUPACN'-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]pyridine-3-carbohydrazide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3cccnc3)c2)CC(C)O1
InChIInChI=1S/C19H22N4O5S/c1-13-11-23(12-14(2)28-13)29(26,27)17-7-3-5-15(9-17)18(24)21-22-19(25)16-6-4-8-20-10-16/h3-10,13-14H,11-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyYEUAHWPUQXXJDG-UHFFFAOYSA-N
MW418.48 g/mol
LogP0.95
Rot. Bonds4

About N'-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]pyridine-3-carbohydrazide

N'-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]pyridine-3-carbohydrazide (PubChem CID 43002278) has the molecular formula C19H22N4O5S and a molecular weight of 418.48 g/mol. Its IUPAC name is N'-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]pyridine-3-carbohydrazide
PubChem CID43002278
Molecular FormulaC19H22N4O5S
Molecular Weight418.48 g/mol
Exact Mass418.13
IUPAC NameN'-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]pyridine-3-carbohydrazide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3cccnc3)c2)CC(C)O1
InChIInChI=1S/C19H22N4O5S/c1-13-11-23(12-14(2)28-13)29(26,27)17-7-3-5-15(9-17)18(24)21-22-19(25)16-6-4-8-20-10-16/h3-10,13-14H,11-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyYEUAHWPUQXXJDG-UHFFFAOYSA-N
XLogP0.95
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide
CID 46523062
N-cyclopropyl-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26693977
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-pyridin-2-ylbenzamide
CID 35034712
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid
CID 690608
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-hydroxyethyl)benzamide
CID 2330706
N-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26087542
N-(4-acetylphenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40790972
N-(3,5-dichlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 17432441
1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]propan-1-one
CID 60872098
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53314248
N-[4-(dimethylamino)pyrimidin-5-yl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 96537850
3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide
CID 7905794

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]pyridine-3-carbohydrazide (CID 43002278) is N'-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]pyridine-3-carbohydrazide is CC1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3cccnc3)c2)CC(C)O1.
What is the InChIKey of N'-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]pyridine-3-carbohydrazide?
The InChIKey is YEUAHWPUQXXJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S/c1-13-11-23(12-14(2)28-13)29(26,27)17-7-3-5-15(9-17)18(24)21-22-19(25)16-6-4-8-20-10-16/h3-10,13-14H,11-12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]pyridine-3-carbohydrazide?
N'-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]pyridine-3-carbohydrazide has a molecular weight of 418.48 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 43002278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).