5-amino-2-sulfanylidene-1H-pyridine-3-carboxamide

C6H7N3OS — CID 61358815

IUPAC5-amino-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)c[nH]c1=S
InChIInChI=1S/C6H7N3OS/c7-3-1-4(5(8)10)6(11)9-2-3/h1-2H,7H2,(H2,8,10)(H,9,11)
InChIKeyDYTQTACFQCRNDA-UHFFFAOYSA-N
MW169.21 g/mol
LogP0.43
Rot. Bonds1

About 5-amino-2-sulfanylidene-1H-pyridine-3-carboxamide

5-amino-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 61358815) has the molecular formula C6H7N3OS and a molecular weight of 169.21 g/mol. Its IUPAC name is 5-amino-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID61358815
Molecular FormulaC6H7N3OS
Molecular Weight169.21 g/mol
Exact Mass169.03
IUPAC Name5-amino-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)c[nH]c1=S
InChIInChI=1S/C6H7N3OS/c7-3-1-4(5(8)10)6(11)9-2-3/h1-2H,7H2,(H2,8,10)(H,9,11)
InChIKeyDYTQTACFQCRNDA-UHFFFAOYSA-N
XLogP0.43
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxypyridine-3-carbothioamide
CID 43165067
N-propyl-2-sulfanyl-pyridine-3-carboxamide
CID 6096780
2-Mercaptonicotinamide
CID 4143093
N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 13502197
N-ethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 13502198
N-propan-2-yl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 13502199
N,N-Dimethyl-2-mercaptonicotinamide
CID 14802390
2-sulfinyl-1H-pyridine-3-carboxamide
CID 22574509
N-hydroxy-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 59191098
2-sulfanylidene-1H-pyridine-4-carboxamide
CID 70654724
N-(3-amino-3-oxopropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 88873602
ethane;2-sulfanylidene-1H-pyridine-3-carboxamide
CID 143328316

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 61358815) is 5-amino-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-sulfanylidene-1H-pyridine-3-carboxamide is NC(=O)c1cc(N)c[nH]c1=S.
What is the InChIKey of 5-amino-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is DYTQTACFQCRNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3OS/c7-3-1-4(5(8)10)6(11)9-2-3/h1-2H,7H2,(H2,8,10)(H,9,11).
What are the key properties of 5-amino-2-sulfanylidene-1H-pyridine-3-carboxamide?
5-amino-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 169.21 g/mol, XLogP of 0.43, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 61358815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).