3-chloro-6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide

C12H19ClN4OS — CID 112664408

IUPAC3-chloro-6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
SMILESCCC(CSC)N(C)C(=O)c1nc(NN)ccc1Cl
InChIInChI=1S/C12H19ClN4OS/c1-4-8(7-19-3)17(2)12(18)11-9(13)5-6-10(15-11)16-14/h5-6,8H,4,7,14H2,1-3H3,(H,15,16)
InChIKeyULFXIFJNZITNEW-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.23
Rot. Bonds6

About 3-chloro-6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide

3-chloro-6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide (PubChem CID 112664408) has the molecular formula C12H19ClN4OS and a molecular weight of 302.83 g/mol. Its IUPAC name is 3-chloro-6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
PubChem CID112664408
Molecular FormulaC12H19ClN4OS
Molecular Weight302.83 g/mol
Exact Mass302.10
IUPAC Name3-chloro-6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
SMILESCCC(CSC)N(C)C(=O)c1nc(NN)ccc1Cl
InChIInChI=1S/C12H19ClN4OS/c1-4-8(7-19-3)17(2)12(18)11-9(13)5-6-10(15-11)16-14/h5-6,8H,4,7,14H2,1-3H3,(H,15,16)
InChIKeyULFXIFJNZITNEW-UHFFFAOYSA-N
XLogP2.23
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide (CID 112664408) is 3-chloro-6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide is CCC(CSC)N(C)C(=O)c1nc(NN)ccc1Cl.
What is the InChIKey of 3-chloro-6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
The InChIKey is ULFXIFJNZITNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4OS/c1-4-8(7-19-3)17(2)12(18)11-9(13)5-6-10(15-11)16-14/h5-6,8H,4,7,14H2,1-3H3,(H,15,16).
What are the key properties of 3-chloro-6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
3-chloro-6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide has a molecular weight of 302.83 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 112664408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).