4-[2-[cyclopropyl(methyl)amino]ethoxy]-2,6-dimethylpyridine-3-carbothioamide

C14H21N3OS — CID 102740130

IUPAC4-[2-[cyclopropyl(methyl)amino]ethoxy]-2,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(OCCN(C)C2CC2)c(C(N)=S)c(C)n1
InChIInChI=1S/C14H21N3OS/c1-9-8-12(13(14(15)19)10(2)16-9)18-7-6-17(3)11-4-5-11/h8,11H,4-7H2,1-3H3,(H2,15,19)
InChIKeyPYCQTZLGRSLPJM-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.81
Rot. Bonds6

About 4-[2-[cyclopropyl(methyl)amino]ethoxy]-2,6-dimethylpyridine-3-carbothioamide

4-[2-[cyclopropyl(methyl)amino]ethoxy]-2,6-dimethylpyridine-3-carbothioamide (PubChem CID 102740130) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 4-[2-[cyclopropyl(methyl)amino]ethoxy]-2,6-dimethylpyridine-3-carbothioamide.

Molecular Properties

Compound Name4-[2-[cyclopropyl(methyl)amino]ethoxy]-2,6-dimethylpyridine-3-carbothioamide
PubChem CID102740130
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name4-[2-[cyclopropyl(methyl)amino]ethoxy]-2,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(OCCN(C)C2CC2)c(C(N)=S)c(C)n1
InChIInChI=1S/C14H21N3OS/c1-9-8-12(13(14(15)19)10(2)16-9)18-7-6-17(3)11-4-5-11/h8,11H,4-7H2,1-3H3,(H2,15,19)
InChIKeyPYCQTZLGRSLPJM-UHFFFAOYSA-N
XLogP1.81
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopentylmethoxy)-2,6-dimethylpyridine-3-carbothioamide
CID 81053956
2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carbothioamide
CID 81037735
5-bromo-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzenecarbothioamide
CID 102740127
3-bromo-4-[2-[cyclopropyl(methyl)amino]ethoxy]benzenecarbothioamide
CID 102740111
N-[2-(3,6-dichloropyridazin-4-yl)oxyethyl]-N-methylcyclopropanamine
CID 102740004
2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carbothioamide
CID 81054789
2-bromo-4-[2-[cyclopropyl(methyl)amino]ethoxy]benzenecarbothioamide
CID 107278453
6-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-2,3-diamine
CID 102739784
4-[cycloheptyl(methyl)amino]-2,6-dimethylpyridine-3-carbothioamide
CID 81054337
2,6-dimethyl-4-[(2-methyl-3-pyridinyl)oxy]pyridine-3-carbothioamide
CID 81054092
2-[2-[cyclopropyl(methyl)amino]ethylamino]-6-methylpyrimidine-4-carbothioamide
CID 107547375
N-[2-[2-(aminomethyl)-4-methylphenoxy]ethyl]-N-methylcyclopropanamine
CID 114016709

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopropyl(methyl)amino]ethoxy]-2,6-dimethylpyridine-3-carbothioamide?
The IUPAC name of 4-[2-[cyclopropyl(methyl)amino]ethoxy]-2,6-dimethylpyridine-3-carbothioamide (CID 102740130) is 4-[2-[cyclopropyl(methyl)amino]ethoxy]-2,6-dimethylpyridine-3-carbothioamide.
What is the SMILES notation for 4-[2-[cyclopropyl(methyl)amino]ethoxy]-2,6-dimethylpyridine-3-carbothioamide?
The canonical SMILES for 4-[2-[cyclopropyl(methyl)amino]ethoxy]-2,6-dimethylpyridine-3-carbothioamide is Cc1cc(OCCN(C)C2CC2)c(C(N)=S)c(C)n1.
What is the InChIKey of 4-[2-[cyclopropyl(methyl)amino]ethoxy]-2,6-dimethylpyridine-3-carbothioamide?
The InChIKey is PYCQTZLGRSLPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-9-8-12(13(14(15)19)10(2)16-9)18-7-6-17(3)11-4-5-11/h8,11H,4-7H2,1-3H3,(H2,15,19).
What are the key properties of 4-[2-[cyclopropyl(methyl)amino]ethoxy]-2,6-dimethylpyridine-3-carbothioamide?
4-[2-[cyclopropyl(methyl)amino]ethoxy]-2,6-dimethylpyridine-3-carbothioamide has a molecular weight of 279.41 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopropyl(methyl)amino]ethoxy]-2,6-dimethylpyridine-3-carbothioamide is sourced from PubChem (CID 102740130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).