3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-4-carbothioamide

C14H24N4S — CID 114288338

IUPAC3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-4-carbothioamide
SMILESCC(C)CC(CN(C)C)Nc1cnccc1C(N)=S
InChIInChI=1S/C14H24N4S/c1-10(2)7-11(9-18(3)4)17-13-8-16-6-5-12(13)14(15)19/h5-6,8,10-11,17H,7,9H2,1-4H3,(H2,15,19)
InChIKeyRPPVGJQIMABQKZ-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.10
Rot. Bonds7

About 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-4-carbothioamide

3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-4-carbothioamide (PubChem CID 114288338) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-4-carbothioamide.

Molecular Properties

Compound Name3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-4-carbothioamide
PubChem CID114288338
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-4-carbothioamide
SMILESCC(C)CC(CN(C)C)Nc1cnccc1C(N)=S
InChIInChI=1S/C14H24N4S/c1-10(2)7-11(9-18(3)4)17-13-8-16-6-5-12(13)14(15)19/h5-6,8,10-11,17H,7,9H2,1-4H3,(H2,15,19)
InChIKeyRPPVGJQIMABQKZ-UHFFFAOYSA-N
XLogP2.10
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.10
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

2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-fluorobenzenecarbothioamide
CID 63675070
3-(butan-2-ylamino)pyridine-4-carbothioamide
CID 114288006
4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-2-carbothioamide
CID 62926794
3-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-4-carbothioamide
CID 114288483
6-N-[1-(dimethylamino)-4-methylpentan-2-yl]isoquinoline-5,6-diamine
CID 106947835
methyl 2-[(4-carbamothioyl-3-pyridinyl)amino]propanoate
CID 114288314
2-[(4-carbamothioyl-3-pyridinyl)amino]-N,N-dimethylacetamide
CID 114288182
3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-4-carboxamide
CID 66484293
3-[methyl(3-methylbutyl)amino]pyridine-4-carbothioamide
CID 114288272
3-[1-(2-methylphenyl)ethylamino]pyridine-4-carbothioamide
CID 114288327
3-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbothioamide
CID 114288317
3-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbothioamide
CID 114288308

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-4-carbothioamide?
The IUPAC name of 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-4-carbothioamide (CID 114288338) is 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-4-carbothioamide.
What is the SMILES notation for 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-4-carbothioamide?
The canonical SMILES for 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-4-carbothioamide is CC(C)CC(CN(C)C)Nc1cnccc1C(N)=S.
What is the InChIKey of 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-4-carbothioamide?
The InChIKey is RPPVGJQIMABQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-10(2)7-11(9-18(3)4)17-13-8-16-6-5-12(13)14(15)19/h5-6,8,10-11,17H,7,9H2,1-4H3,(H2,15,19).
What are the key properties of 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-4-carbothioamide?
3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-4-carbothioamide has a molecular weight of 280.44 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-4-carbothioamide is sourced from PubChem (CID 114288338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).