5-carbamothioyl-N-(2-ethoxyethyl)-N-ethylpyridine-2-carboxamide

C13H19N3O2S — CID 55231172

IUPAC5-carbamothioyl-N-(2-ethoxyethyl)-N-ethylpyridine-2-carboxamide
SMILESCCOCCN(CC)C(=O)c1ccc(C(N)=S)cn1
InChIInChI=1S/C13H19N3O2S/c1-3-16(7-8-18-4-2)13(17)11-6-5-10(9-15-11)12(14)19/h5-6,9H,3-4,7-8H2,1-2H3,(H2,14,19)
InChIKeyDABKCJJEXHUJEC-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.21
Rot. Bonds7

About 5-carbamothioyl-N-(2-ethoxyethyl)-N-ethylpyridine-2-carboxamide

5-carbamothioyl-N-(2-ethoxyethyl)-N-ethylpyridine-2-carboxamide (PubChem CID 55231172) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 5-carbamothioyl-N-(2-ethoxyethyl)-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-N-(2-ethoxyethyl)-N-ethylpyridine-2-carboxamide
PubChem CID55231172
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name5-carbamothioyl-N-(2-ethoxyethyl)-N-ethylpyridine-2-carboxamide
SMILESCCOCCN(CC)C(=O)c1ccc(C(N)=S)cn1
InChIInChI=1S/C13H19N3O2S/c1-3-16(7-8-18-4-2)13(17)11-6-5-10(9-15-11)12(14)19/h5-6,9H,3-4,7-8H2,1-2H3,(H2,14,19)
InChIKeyDABKCJJEXHUJEC-UHFFFAOYSA-N
XLogP1.21
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(2-ethoxyethyl)-N-ethylpyridine-3-carboxamide
CID 63690796
5-amino-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide
CID 82965848
methyl 2-[(5-carbamothioylpyridine-2-carbonyl)-propylamino]acetate
CID 63749201
5-carbamothioyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-2-carboxamide
CID 63749552
N-(2-ethoxyethyl)-N-ethyl-6-(methylamino)pyridazine-3-carboxamide
CID 63691498
6-amino-N-(2-ethoxyethyl)-N-ethylpyridine-2-carboxamide
CID 63691666
N-(2-ethoxyethyl)-N-ethyl-6-(propylamino)pyridine-3-carboxamide
CID 63692575
6-(diethylcarbamoyl)pyridine-3-carboxylic acid
CID 43427227
5-carbamothioyl-N-(3-hydroxypropyl)-N-methylpyridine-2-carboxamide
CID 114230215
5-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide
CID 63749570
5-carbamothioyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 107479775
methyl 3-[(5-carbamothioylpyridine-2-carbonyl)-methylamino]propanoate
CID 63749737

Frequently Asked Questions

What is the IUPAC name of 5-carbamothioyl-N-(2-ethoxyethyl)-N-ethylpyridine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-N-(2-ethoxyethyl)-N-ethylpyridine-2-carboxamide (CID 55231172) is 5-carbamothioyl-N-(2-ethoxyethyl)-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-N-(2-ethoxyethyl)-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-N-(2-ethoxyethyl)-N-ethylpyridine-2-carboxamide is CCOCCN(CC)C(=O)c1ccc(C(N)=S)cn1.
What is the InChIKey of 5-carbamothioyl-N-(2-ethoxyethyl)-N-ethylpyridine-2-carboxamide?
The InChIKey is DABKCJJEXHUJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-3-16(7-8-18-4-2)13(17)11-6-5-10(9-15-11)12(14)19/h5-6,9H,3-4,7-8H2,1-2H3,(H2,14,19).
What are the key properties of 5-carbamothioyl-N-(2-ethoxyethyl)-N-ethylpyridine-2-carboxamide?
5-carbamothioyl-N-(2-ethoxyethyl)-N-ethylpyridine-2-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamothioyl-N-(2-ethoxyethyl)-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 55231172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).