3-chloro-6-hydrazinyl-N-(2-methylsulfanylethyl)pyridine-2-carboxamide

C9H13ClN4OS — CID 63963599

IUPAC3-chloro-6-hydrazinyl-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
SMILESCSCCNC(=O)c1nc(NN)ccc1Cl
InChIInChI=1S/C9H13ClN4OS/c1-16-5-4-12-9(15)8-6(10)2-3-7(13-8)14-11/h2-3H,4-5,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyLVRBXTNMVBESNN-UHFFFAOYSA-N
MW260.75 g/mol
LogP1.11
Rot. Bonds5

About 3-chloro-6-hydrazinyl-N-(2-methylsulfanylethyl)pyridine-2-carboxamide

3-chloro-6-hydrazinyl-N-(2-methylsulfanylethyl)pyridine-2-carboxamide (PubChem CID 63963599) has the molecular formula C9H13ClN4OS and a molecular weight of 260.75 g/mol. Its IUPAC name is 3-chloro-6-hydrazinyl-N-(2-methylsulfanylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-hydrazinyl-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
PubChem CID63963599
Molecular FormulaC9H13ClN4OS
Molecular Weight260.75 g/mol
Exact Mass260.05
IUPAC Name3-chloro-6-hydrazinyl-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
SMILESCSCCNC(=O)c1nc(NN)ccc1Cl
InChIInChI=1S/C9H13ClN4OS/c1-16-5-4-12-9(15)8-6(10)2-3-7(13-8)14-11/h2-3H,4-5,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyLVRBXTNMVBESNN-UHFFFAOYSA-N
XLogP1.11
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-6-hydrazinyl-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
CID 63227438
3-chloro-6-hydrazinyl-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide
CID 62242207
3-chloro-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62235822
3-chloro-6-hydrazinyl-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2-carboxamide
CID 62248018
3-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 62248784
3-chloro-6-hydrazinyl-N-(3-methylpentan-3-yl)pyridine-2-carboxamide
CID 106331402
3-chloro-6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 62522719
3-chloro-6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 112664408
3-chloro-N-(2,6-dichloro-3-methylphenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62237587
3-chloro-N-[2-(3-fluorophenyl)ethyl]-6-hydrazinylpyridine-2-carboxamide
CID 62242329
3-chloro-6-hydrazinyl-N-(3-methylpentan-2-yl)pyridine-2-carboxamide
CID 62249778
3-chloro-6-(ethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2-carboxamide
CID 106432994

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-hydrazinyl-N-(2-methylsulfanylethyl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-hydrazinyl-N-(2-methylsulfanylethyl)pyridine-2-carboxamide (CID 63963599) is 3-chloro-6-hydrazinyl-N-(2-methylsulfanylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-hydrazinyl-N-(2-methylsulfanylethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-hydrazinyl-N-(2-methylsulfanylethyl)pyridine-2-carboxamide is CSCCNC(=O)c1nc(NN)ccc1Cl.
What is the InChIKey of 3-chloro-6-hydrazinyl-N-(2-methylsulfanylethyl)pyridine-2-carboxamide?
The InChIKey is LVRBXTNMVBESNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4OS/c1-16-5-4-12-9(15)8-6(10)2-3-7(13-8)14-11/h2-3H,4-5,11H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 3-chloro-6-hydrazinyl-N-(2-methylsulfanylethyl)pyridine-2-carboxamide?
3-chloro-6-hydrazinyl-N-(2-methylsulfanylethyl)pyridine-2-carboxamide has a molecular weight of 260.75 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-hydrazinyl-N-(2-methylsulfanylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 63963599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).