5-amino-6-benzylsulfanylpyridine-2-carboxamide

C13H13N3OS — CID 114409310

IUPAC5-amino-6-benzylsulfanylpyridine-2-carboxamide
SMILESNC(=O)c1ccc(N)c(SCc2ccccc2)n1
InChIInChI=1S/C13H13N3OS/c14-10-6-7-11(12(15)17)16-13(10)18-8-9-4-2-1-3-5-9/h1-7H,8,14H2,(H2,15,17)
InChIKeyCZZURACZCYWLHP-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.06
Rot. Bonds4

About 5-amino-6-benzylsulfanylpyridine-2-carboxamide

5-amino-6-benzylsulfanylpyridine-2-carboxamide (PubChem CID 114409310) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-amino-6-benzylsulfanylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-benzylsulfanylpyridine-2-carboxamide
PubChem CID114409310
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name5-amino-6-benzylsulfanylpyridine-2-carboxamide
SMILESNC(=O)c1ccc(N)c(SCc2ccccc2)n1
InChIInChI=1S/C13H13N3OS/c14-10-6-7-11(12(15)17)16-13(10)18-8-9-4-2-1-3-5-9/h1-7H,8,14H2,(H2,15,17)
InChIKeyCZZURACZCYWLHP-UHFFFAOYSA-N
XLogP2.06
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-benzylsulfanylpyridine-2-carboxamide?
The IUPAC name of 5-amino-6-benzylsulfanylpyridine-2-carboxamide (CID 114409310) is 5-amino-6-benzylsulfanylpyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-benzylsulfanylpyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-benzylsulfanylpyridine-2-carboxamide is NC(=O)c1ccc(N)c(SCc2ccccc2)n1.
What is the InChIKey of 5-amino-6-benzylsulfanylpyridine-2-carboxamide?
The InChIKey is CZZURACZCYWLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c14-10-6-7-11(12(15)17)16-13(10)18-8-9-4-2-1-3-5-9/h1-7H,8,14H2,(H2,15,17).
What are the key properties of 5-amino-6-benzylsulfanylpyridine-2-carboxamide?
5-amino-6-benzylsulfanylpyridine-2-carboxamide has a molecular weight of 259.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-benzylsulfanylpyridine-2-carboxamide is sourced from PubChem (CID 114409310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).