5-carbamothioyl-N-(3-hydroxypropyl)-N-methylpyridine-2-carboxamide

C11H15N3O2S — CID 114230215

IUPAC5-carbamothioyl-N-(3-hydroxypropyl)-N-methylpyridine-2-carboxamide
SMILESCN(CCCO)C(=O)c1ccc(C(N)=S)cn1
InChIInChI=1S/C11H15N3O2S/c1-14(5-2-6-15)11(16)9-4-3-8(7-13-9)10(12)17/h3-4,7,15H,2,5-6H2,1H3,(H2,12,17)
InChIKeyOKEUWQLKZLZHNV-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.17
Rot. Bonds5

About 5-carbamothioyl-N-(3-hydroxypropyl)-N-methylpyridine-2-carboxamide

5-carbamothioyl-N-(3-hydroxypropyl)-N-methylpyridine-2-carboxamide (PubChem CID 114230215) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 5-carbamothioyl-N-(3-hydroxypropyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-N-(3-hydroxypropyl)-N-methylpyridine-2-carboxamide
PubChem CID114230215
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name5-carbamothioyl-N-(3-hydroxypropyl)-N-methylpyridine-2-carboxamide
SMILESCN(CCCO)C(=O)c1ccc(C(N)=S)cn1
InChIInChI=1S/C11H15N3O2S/c1-14(5-2-6-15)11(16)9-4-3-8(7-13-9)10(12)17/h3-4,7,15H,2,5-6H2,1H3,(H2,12,17)
InChIKeyOKEUWQLKZLZHNV-UHFFFAOYSA-N
XLogP0.17
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-carbamothioyl-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 79859087
methyl 3-[(5-carbamothioylpyridine-2-carbonyl)-methylamino]propanoate
CID 63749737
5-carbamothioyl-N-(2-hydroxypropyl)-N-methylpyridine-2-carboxamide
CID 55230597
6-[methyl(pentyl)carbamoyl]pyridine-3-carboxylic acid
CID 43452990
5-carbamothioyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 107479775
5-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide
CID 63749570
N-(5-hydroxypentyl)-N,6-dimethylpyridine-3-carboxamide
CID 107201918
5-carbamothioyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-2-carboxamide
CID 63749552
3-carbamothioyl-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107199741
5-carbamothioyl-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide
CID 63723408
5-(N'-hydroxycarbamimidoyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
CID 77073182
5-carbamothioyl-N-(2-ethoxyethyl)-N-ethylpyridine-2-carboxamide
CID 55231172

Frequently Asked Questions

What is the IUPAC name of 5-carbamothioyl-N-(3-hydroxypropyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-N-(3-hydroxypropyl)-N-methylpyridine-2-carboxamide (CID 114230215) is 5-carbamothioyl-N-(3-hydroxypropyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-N-(3-hydroxypropyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-N-(3-hydroxypropyl)-N-methylpyridine-2-carboxamide is CN(CCCO)C(=O)c1ccc(C(N)=S)cn1.
What is the InChIKey of 5-carbamothioyl-N-(3-hydroxypropyl)-N-methylpyridine-2-carboxamide?
The InChIKey is OKEUWQLKZLZHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-14(5-2-6-15)11(16)9-4-3-8(7-13-9)10(12)17/h3-4,7,15H,2,5-6H2,1H3,(H2,12,17).
What are the key properties of 5-carbamothioyl-N-(3-hydroxypropyl)-N-methylpyridine-2-carboxamide?
5-carbamothioyl-N-(3-hydroxypropyl)-N-methylpyridine-2-carboxamide has a molecular weight of 253.33 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamothioyl-N-(3-hydroxypropyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 114230215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).