N,N-diethyl-2-sulfanylidene-1H-pyridine-3-carboxamide

C10H14N2OS — CID 19808177

IUPACN,N-diethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc[nH]c1=S
InChIInChI=1S/C10H14N2OS/c1-3-12(4-2)10(13)8-6-5-7-11-9(8)14/h5-7H,3-4H2,1-2H3,(H,11,14)
InChIKeyKELIOKHMUGLVGR-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.23
Rot. Bonds3

About N,N-diethyl-2-sulfanylidene-1H-pyridine-3-carboxamide

N,N-diethyl-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 19808177) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is N,N-diethyl-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID19808177
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC NameN,N-diethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc[nH]c1=S
InChIInChI=1S/C10H14N2OS/c1-3-12(4-2)10(13)8-6-5-7-11-9(8)14/h5-7H,3-4H2,1-2H3,(H,11,14)
InChIKeyKELIOKHMUGLVGR-UHFFFAOYSA-N
XLogP2.23
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.23
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-diethyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N,N-diethyl-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 19808177) is N,N-diethyl-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N,N-diethyl-2-sulfanylidene-1H-pyridine-3-carboxamide is CCN(CC)C(=O)c1ccc[nH]c1=S.
What is the InChIKey of N,N-diethyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is KELIOKHMUGLVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-3-12(4-2)10(13)8-6-5-7-11-9(8)14/h5-7H,3-4H2,1-2H3,(H,11,14).
What are the key properties of N,N-diethyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
N,N-diethyl-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 210.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 19808177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).