1-methyl-2-sulfanylidenepyridine-3-carboxamide

C7H8N2OS — CID 146452056

IUPAC1-methyl-2-sulfanylidenepyridine-3-carboxamide
SMILESCn1cccc(C(N)=O)c1=S
InChIInChI=1S/C7H8N2OS/c1-9-4-2-3-5(6(8)10)7(9)11/h2-4H,1H3,(H2,8,10)
InChIKeyWXHBWSBEPNDFRM-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.85
Rot. Bonds1

About 1-methyl-2-sulfanylidenepyridine-3-carboxamide

1-methyl-2-sulfanylidenepyridine-3-carboxamide (PubChem CID 146452056) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 1-methyl-2-sulfanylidenepyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-2-sulfanylidenepyridine-3-carboxamide
PubChem CID146452056
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name1-methyl-2-sulfanylidenepyridine-3-carboxamide
SMILESCn1cccc(C(N)=O)c1=S
InChIInChI=1S/C7H8N2OS/c1-9-4-2-3-5(6(8)10)7(9)11/h2-4H,1H3,(H2,8,10)
InChIKeyWXHBWSBEPNDFRM-UHFFFAOYSA-N
XLogP0.85
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 12791801
2-Hydroxypyridine-3-carbothioamide
CID 43165067
N-propyl-2-sulfanyl-pyridine-3-carboxamide
CID 6096780
3-(Aminomethyl)-1-methyl-pyridin-2-one;hydrochloride
CID 117273825
2-Mercaptonicotinamide
CID 4143093
1-Methyl-1,2-dihydropyridine-3-carboxamide
CID 17944990
1-(n-Propyl)-nicotinamide
CID 21881589
1-Ethylnicotinamide
CID 21881596
n1-Methylnicotinamide-d4
CID 163284730
d3-1-Methylnicotinamide
CID 166542377
1-Propan-2-yl-2-sulfanylidenepyridine-3-carboxamide
CID 21789696
1-(3-Fluoropropyl)-2-oxopyridine-3-carbothioamide
CID 107017739

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-sulfanylidenepyridine-3-carboxamide?
The IUPAC name of 1-methyl-2-sulfanylidenepyridine-3-carboxamide (CID 146452056) is 1-methyl-2-sulfanylidenepyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-2-sulfanylidenepyridine-3-carboxamide?
The canonical SMILES for 1-methyl-2-sulfanylidenepyridine-3-carboxamide is Cn1cccc(C(N)=O)c1=S.
What is the InChIKey of 1-methyl-2-sulfanylidenepyridine-3-carboxamide?
The InChIKey is WXHBWSBEPNDFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-9-4-2-3-5(6(8)10)7(9)11/h2-4H,1H3,(H2,8,10).
What are the key properties of 1-methyl-2-sulfanylidenepyridine-3-carboxamide?
1-methyl-2-sulfanylidenepyridine-3-carboxamide has a molecular weight of 168.22 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-sulfanylidenepyridine-3-carboxamide is sourced from PubChem (CID 146452056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).