N-(2-hydroxyprop-2-enyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide

C10H12N2O2S — CID 139492779

IUPACN-(2-hydroxyprop-2-enyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESC=C(O)CN(C)C(=O)c1ccc[nH]c1=S
InChIInChI=1S/C10H12N2O2S/c1-7(13)6-12(2)10(14)8-4-3-5-11-9(8)15/h3-5,13H,1,6H2,2H3,(H,11,15)
InChIKeyRNKVKZKBIKIBOL-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.89
Rot. Bonds3

About N-(2-hydroxyprop-2-enyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide

N-(2-hydroxyprop-2-enyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 139492779) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is N-(2-hydroxyprop-2-enyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyprop-2-enyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID139492779
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC NameN-(2-hydroxyprop-2-enyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESC=C(O)CN(C)C(=O)c1ccc[nH]c1=S
InChIInChI=1S/C10H12N2O2S/c1-7(13)6-12(2)10(14)8-4-3-5-11-9(8)15/h3-5,13H,1,6H2,2H3,(H,11,15)
InChIKeyRNKVKZKBIKIBOL-UHFFFAOYSA-N
XLogP1.89
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyprop-2-enyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxyprop-2-enyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 139492779) is N-(2-hydroxyprop-2-enyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyprop-2-enyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyprop-2-enyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide is C=C(O)CN(C)C(=O)c1ccc[nH]c1=S.
What is the InChIKey of N-(2-hydroxyprop-2-enyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is RNKVKZKBIKIBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-7(13)6-12(2)10(14)8-4-3-5-11-9(8)15/h3-5,13H,1,6H2,2H3,(H,11,15).
What are the key properties of N-(2-hydroxyprop-2-enyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-(2-hydroxyprop-2-enyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 224.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyprop-2-enyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 139492779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).