N,N-dimethyl-2-sulfanylidene-1H-pyridine-4-carboxamide

C8H10N2OS — CID 19890280

IUPACN,N-dimethyl-2-sulfanylidene-1H-pyridine-4-carboxamide
SMILESCN(C)C(=O)c1cc[nH]c(=S)c1
InChIInChI=1S/C8H10N2OS/c1-10(2)8(11)6-3-4-9-7(12)5-6/h3-5H,1-2H3,(H,9,12)
InChIKeyYEHJZXOSWCPETN-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.45
Rot. Bonds1

About N,N-dimethyl-2-sulfanylidene-1H-pyridine-4-carboxamide

N,N-dimethyl-2-sulfanylidene-1H-pyridine-4-carboxamide (PubChem CID 19890280) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is N,N-dimethyl-2-sulfanylidene-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-sulfanylidene-1H-pyridine-4-carboxamide
PubChem CID19890280
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC NameN,N-dimethyl-2-sulfanylidene-1H-pyridine-4-carboxamide
SMILESCN(C)C(=O)c1cc[nH]c(=S)c1
InChIInChI=1S/C8H10N2OS/c1-10(2)8(11)6-3-4-9-7(12)5-6/h3-5H,1-2H3,(H,9,12)
InChIKeyYEHJZXOSWCPETN-UHFFFAOYSA-N
XLogP1.45
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-sulfanylidene-1H-pyridine-4-carboxamide?
The IUPAC name of N,N-dimethyl-2-sulfanylidene-1H-pyridine-4-carboxamide (CID 19890280) is N,N-dimethyl-2-sulfanylidene-1H-pyridine-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-sulfanylidene-1H-pyridine-4-carboxamide?
The canonical SMILES for N,N-dimethyl-2-sulfanylidene-1H-pyridine-4-carboxamide is CN(C)C(=O)c1cc[nH]c(=S)c1.
What is the InChIKey of N,N-dimethyl-2-sulfanylidene-1H-pyridine-4-carboxamide?
The InChIKey is YEHJZXOSWCPETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-10(2)8(11)6-3-4-9-7(12)5-6/h3-5H,1-2H3,(H,9,12).
What are the key properties of N,N-dimethyl-2-sulfanylidene-1H-pyridine-4-carboxamide?
N,N-dimethyl-2-sulfanylidene-1H-pyridine-4-carboxamide has a molecular weight of 182.25 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-sulfanylidene-1H-pyridine-4-carboxamide is sourced from PubChem (CID 19890280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).