5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxamide

C14H12N4OS — CID 114409781

IUPAC5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(N)c(Sc2cc3ccccc3[nH]2)n1
InChIInChI=1S/C14H12N4OS/c15-9-5-6-11(13(16)19)18-14(9)20-12-7-8-3-1-2-4-10(8)17-12/h1-7,17H,15H2,(H2,16,19)
InChIKeyBGGIBVFJSMZWCJ-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.40
Rot. Bonds3

About 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxamide

5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxamide (PubChem CID 114409781) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxamide
PubChem CID114409781
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(N)c(Sc2cc3ccccc3[nH]2)n1
InChIInChI=1S/C14H12N4OS/c15-9-5-6-11(13(16)19)18-14(9)20-12-7-8-3-1-2-4-10(8)17-12/h1-7,17H,15H2,(H2,16,19)
InChIKeyBGGIBVFJSMZWCJ-UHFFFAOYSA-N
XLogP2.40
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxamide (CID 114409781) is 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxamide is NC(=O)c1ccc(N)c(Sc2cc3ccccc3[nH]2)n1.
What is the InChIKey of 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxamide?
The InChIKey is BGGIBVFJSMZWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c15-9-5-6-11(13(16)19)18-14(9)20-12-7-8-3-1-2-4-10(8)17-12/h1-7,17H,15H2,(H2,16,19).
What are the key properties of 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxamide?
5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxamide is sourced from PubChem (CID 114409781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).