2-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carbothioamide

C15H23N3S — CID 114767799

IUPAC2-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(NCC2C(C)(C)C2(C)C)n1
InChIInChI=1S/C15H23N3S/c1-9-6-10(13(16)19)7-12(18-9)17-8-11-14(2,3)15(11,4)5/h6-7,11H,8H2,1-5H3,(H2,16,19)(H,17,18)
InChIKeyLDPMTRKPRFAIER-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.12
Rot. Bonds4

About 2-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carbothioamide

2-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carbothioamide (PubChem CID 114767799) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 2-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carbothioamide
PubChem CID114767799
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name2-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(NCC2C(C)(C)C2(C)C)n1
InChIInChI=1S/C15H23N3S/c1-9-6-10(13(16)19)7-12(18-9)17-8-11-14(2,3)15(11,4)5/h6-7,11H,8H2,1-5H3,(H2,16,19)(H,17,18)
InChIKeyLDPMTRKPRFAIER-UHFFFAOYSA-N
XLogP3.12
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-(propan-2-ylamino)pyridine-4-carbothioamide
CID 58503833
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-6-methylpyridine-4-carbothioamide
CID 114767786
methyl 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]acetate
CID 114767112
2-methyl-6-(2-methylbutan-2-ylamino)pyridine-4-carbothioamide
CID 114767006
2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbothioamide
CID 114767545
N-(4-carbamothioyl-6-methyl-2-pyridinyl)acetamide
CID 87180864
6-methyl-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 79362563
4-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 114767803
2-[2-(4-chlorophenyl)ethylamino]-6-methylpyridine-4-carbothioamide
CID 114767308
2-methyl-6-[(4-propan-2-ylphenyl)methylamino]pyridine-4-carbothioamide
CID 114767533
2-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-4-carbothioamide
CID 114767829
2-(cyclobutylamino)-6-methylpyridine-4-carbothioamide
CID 58503678

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carbothioamide?
The IUPAC name of 2-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carbothioamide (CID 114767799) is 2-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carbothioamide.
What is the SMILES notation for 2-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carbothioamide?
The canonical SMILES for 2-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(NCC2C(C)(C)C2(C)C)n1.
What is the InChIKey of 2-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carbothioamide?
The InChIKey is LDPMTRKPRFAIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-9-6-10(13(16)19)7-12(18-9)17-8-11-14(2,3)15(11,4)5/h6-7,11H,8H2,1-5H3,(H2,16,19)(H,17,18).
What are the key properties of 2-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carbothioamide?
2-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carbothioamide has a molecular weight of 277.44 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carbothioamide is sourced from PubChem (CID 114767799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).