5-chloro-6-hydrazinyl-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide

C11H18ClN5O3S — CID 63861191

IUPAC5-chloro-6-hydrazinyl-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide
SMILESCC(C)(CNC(=O)c1cnc(NN)c(Cl)c1)NS(C)(=O)=O
InChIInChI=1S/C11H18ClN5O3S/c1-11(2,17-21(3,19)20)6-15-10(18)7-4-8(12)9(16-13)14-5-7/h4-5,17H,6,13H2,1-3H3,(H,14,16)(H,15,18)
InChIKeyCMNZTMWDMWQXLI-UHFFFAOYSA-N
MW335.82 g/mol
LogP0.08
Rot. Bonds6

About 5-chloro-6-hydrazinyl-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide

5-chloro-6-hydrazinyl-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide (PubChem CID 63861191) has the molecular formula C11H18ClN5O3S and a molecular weight of 335.82 g/mol. Its IUPAC name is 5-chloro-6-hydrazinyl-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-hydrazinyl-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide
PubChem CID63861191
Molecular FormulaC11H18ClN5O3S
Molecular Weight335.82 g/mol
Exact Mass335.08
IUPAC Name5-chloro-6-hydrazinyl-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide
SMILESCC(C)(CNC(=O)c1cnc(NN)c(Cl)c1)NS(C)(=O)=O
InChIInChI=1S/C11H18ClN5O3S/c1-11(2,17-21(3,19)20)6-15-10(18)7-4-8(12)9(16-13)14-5-7/h4-5,17H,6,13H2,1-3H3,(H,14,16)(H,15,18)
InChIKeyCMNZTMWDMWQXLI-UHFFFAOYSA-N
XLogP0.08
TPSA126.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5-dichloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 82813067
5-chloro-6-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide
CID 106340809
3-chloro-4-iodo-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 103736181
5-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide
CID 63865625
6-amino-5-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-carboxamide
CID 79555286
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 106280091
5-chloro-N-(2,2-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide
CID 103464504
2-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide
CID 63862460
3,4,5-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 63862461
5-chloro-6-hydrazinyl-N-(5-methylhexyl)pyridine-3-carboxamide
CID 113287874
5-chloro-6-hydrazinyl-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-carboxamide
CID 62840708
5-chloro-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62172627

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-hydrazinyl-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-hydrazinyl-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide (CID 63861191) is 5-chloro-6-hydrazinyl-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-hydrazinyl-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-hydrazinyl-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide is CC(C)(CNC(=O)c1cnc(NN)c(Cl)c1)NS(C)(=O)=O.
What is the InChIKey of 5-chloro-6-hydrazinyl-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide?
The InChIKey is CMNZTMWDMWQXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O3S/c1-11(2,17-21(3,19)20)6-15-10(18)7-4-8(12)9(16-13)14-5-7/h4-5,17H,6,13H2,1-3H3,(H,14,16)(H,15,18).
What are the key properties of 5-chloro-6-hydrazinyl-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide?
5-chloro-6-hydrazinyl-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide has a molecular weight of 335.82 g/mol, XLogP of 0.08, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-hydrazinyl-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide is sourced from PubChem (CID 63861191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).