4-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide

C16H26N4S — CID 107164131

IUPAC4-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(NCC2(C)CCN(C)CC2)c(C(N)=S)c(C)n1
InChIInChI=1S/C16H26N4S/c1-11-9-13(14(15(17)21)12(2)19-11)18-10-16(3)5-7-20(4)8-6-16/h9H,5-8,10H2,1-4H3,(H2,17,21)(H,18,19)
InChIKeyGYUSWTQOMHGFJM-UHFFFAOYSA-N
MW306.48 g/mol
LogP2.48
Rot. Bonds4

About 4-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide

4-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide (PubChem CID 107164131) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is 4-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide.

Molecular Properties

Compound Name4-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide
PubChem CID107164131
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Name4-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(NCC2(C)CCN(C)CC2)c(C(N)=S)c(C)n1
InChIInChI=1S/C16H26N4S/c1-11-9-13(14(15(17)21)12(2)19-11)18-10-16(3)5-7-20(4)8-6-16/h9H,5-8,10H2,1-4H3,(H2,17,21)(H,18,19)
InChIKeyGYUSWTQOMHGFJM-UHFFFAOYSA-N
XLogP2.48
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.48
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 4-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide?
The IUPAC name of 4-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide (CID 107164131) is 4-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide.
What is the SMILES notation for 4-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide?
The canonical SMILES for 4-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide is Cc1cc(NCC2(C)CCN(C)CC2)c(C(N)=S)c(C)n1.
What is the InChIKey of 4-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide?
The InChIKey is GYUSWTQOMHGFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-11-9-13(14(15(17)21)12(2)19-11)18-10-16(3)5-7-20(4)8-6-16/h9H,5-8,10H2,1-4H3,(H2,17,21)(H,18,19).
What are the key properties of 4-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide?
4-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide has a molecular weight of 306.48 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide is sourced from PubChem (CID 107164131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).