3-[(3-carbamothioyl-2,6-dimethyl-4-pyridinyl)-methylamino]-N-methylpropanamide

C13H20N4OS — CID 106915599

IUPAC3-[(3-carbamothioyl-2,6-dimethyl-4-pyridinyl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cc(C)nc(C)c1C(N)=S
InChIInChI=1S/C13H20N4OS/c1-8-7-10(12(13(14)19)9(2)16-8)17(4)6-5-11(18)15-3/h7H,5-6H2,1-4H3,(H2,14,19)(H,15,18)
InChIKeyQIZYJEIPIKPKIB-UHFFFAOYSA-N
MW280.40 g/mol
LogP0.90
Rot. Bonds5

About 3-[(3-carbamothioyl-2,6-dimethyl-4-pyridinyl)-methylamino]-N-methylpropanamide

3-[(3-carbamothioyl-2,6-dimethyl-4-pyridinyl)-methylamino]-N-methylpropanamide (PubChem CID 106915599) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 3-[(3-carbamothioyl-2,6-dimethyl-4-pyridinyl)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(3-carbamothioyl-2,6-dimethyl-4-pyridinyl)-methylamino]-N-methylpropanamide
PubChem CID106915599
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name3-[(3-carbamothioyl-2,6-dimethyl-4-pyridinyl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cc(C)nc(C)c1C(N)=S
InChIInChI=1S/C13H20N4OS/c1-8-7-10(12(13(14)19)9(2)16-8)17(4)6-5-11(18)15-3/h7H,5-6H2,1-4H3,(H2,14,19)(H,15,18)
InChIKeyQIZYJEIPIKPKIB-UHFFFAOYSA-N
XLogP0.90
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-[(3-carbamothioyl-2,6-dimethyl-4-pyridinyl)-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(3-carbamothioyl-2,6-dimethyl-4-pyridinyl)-methylamino]-N-methylpropanamide (CID 106915599) is 3-[(3-carbamothioyl-2,6-dimethyl-4-pyridinyl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(3-carbamothioyl-2,6-dimethyl-4-pyridinyl)-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(3-carbamothioyl-2,6-dimethyl-4-pyridinyl)-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1cc(C)nc(C)c1C(N)=S.
What is the InChIKey of 3-[(3-carbamothioyl-2,6-dimethyl-4-pyridinyl)-methylamino]-N-methylpropanamide?
The InChIKey is QIZYJEIPIKPKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-8-7-10(12(13(14)19)9(2)16-8)17(4)6-5-11(18)15-3/h7H,5-6H2,1-4H3,(H2,14,19)(H,15,18).
What are the key properties of 3-[(3-carbamothioyl-2,6-dimethyl-4-pyridinyl)-methylamino]-N-methylpropanamide?
3-[(3-carbamothioyl-2,6-dimethyl-4-pyridinyl)-methylamino]-N-methylpropanamide has a molecular weight of 280.40 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-carbamothioyl-2,6-dimethyl-4-pyridinyl)-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106915599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).