6-amino-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide

C11H17N3OS — CID 63962957

IUPAC6-amino-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
SMILESCSCC(C)CNC(=O)c1cccc(N)n1
InChIInChI=1S/C11H17N3OS/c1-8(7-16-2)6-13-11(15)9-4-3-5-10(12)14-9/h3-5,8H,6-7H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyNJUMTIYJMDBMHJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.39
Rot. Bonds5

About 6-amino-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide

6-amino-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide (PubChem CID 63962957) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 6-amino-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
PubChem CID63962957
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name6-amino-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
SMILESCSCC(C)CNC(=O)c1cccc(N)n1
InChIInChI=1S/C11H17N3OS/c1-8(7-16-2)6-13-11(15)9-4-3-5-10(12)14-9/h3-5,8H,6-7H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyNJUMTIYJMDBMHJ-UHFFFAOYSA-N
XLogP1.39
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide?
The IUPAC name of 6-amino-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide (CID 63962957) is 6-amino-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide is CSCC(C)CNC(=O)c1cccc(N)n1.
What is the InChIKey of 6-amino-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide?
The InChIKey is NJUMTIYJMDBMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8(7-16-2)6-13-11(15)9-4-3-5-10(12)14-9/h3-5,8H,6-7H2,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of 6-amino-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide?
6-amino-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 63962957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).