2-[butyl(cyclopropyl)amino]-6-methylpyridine-4-carbothioamide

C14H21N3S — CID 114767350

IUPAC2-[butyl(cyclopropyl)amino]-6-methylpyridine-4-carbothioamide
SMILESCCCCN(c1cc(C(N)=S)cc(C)n1)C1CC1
InChIInChI=1S/C14H21N3S/c1-3-4-7-17(12-5-6-12)13-9-11(14(15)18)8-10(2)16-13/h8-9,12H,3-7H2,1-2H3,(H2,15,18)
InChIKeyJQDQCOUMIJEQQH-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.79
Rot. Bonds6

About 2-[butyl(cyclopropyl)amino]-6-methylpyridine-4-carbothioamide

2-[butyl(cyclopropyl)amino]-6-methylpyridine-4-carbothioamide (PubChem CID 114767350) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-[butyl(cyclopropyl)amino]-6-methylpyridine-4-carbothioamide.

Molecular Properties

Compound Name2-[butyl(cyclopropyl)amino]-6-methylpyridine-4-carbothioamide
PubChem CID114767350
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name2-[butyl(cyclopropyl)amino]-6-methylpyridine-4-carbothioamide
SMILESCCCCN(c1cc(C(N)=S)cc(C)n1)C1CC1
InChIInChI=1S/C14H21N3S/c1-3-4-7-17(12-5-6-12)13-9-11(14(15)18)8-10(2)16-13/h8-9,12H,3-7H2,1-2H3,(H2,15,18)
InChIKeyJQDQCOUMIJEQQH-UHFFFAOYSA-N
XLogP2.79
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopropyl(3-methylbutyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767474
2-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767464
2-methyl-6-[methyl(propyl)amino]pyridine-4-carbothioamide
CID 114767217
4-N-butyl-4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80799717
2-[2-hydroxyethyl(propyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767331
2-[cyclobutylmethyl(ethyl)amino]-6-methylpyridine-4-carbothioamide
CID 107398831
N-butyl-N-cyclopropyl-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80895719
2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carboximidamide
CID 102863039
2-methyl-6-[methyl(oxolan-3-yl)amino]pyridine-4-carbothioamide
CID 114767884
3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclobutylamino]propan-1-ol
CID 102859672
2-[butyl(cyclopropyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916111
2-[butyl(cyclopropyl)amino]pyridine-4-carboxylic acid
CID 61442819

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(cyclopropyl)amino]-6-methylpyridine-4-carbothioamide?
The IUPAC name of 2-[butyl(cyclopropyl)amino]-6-methylpyridine-4-carbothioamide (CID 114767350) is 2-[butyl(cyclopropyl)amino]-6-methylpyridine-4-carbothioamide.
What is the SMILES notation for 2-[butyl(cyclopropyl)amino]-6-methylpyridine-4-carbothioamide?
The canonical SMILES for 2-[butyl(cyclopropyl)amino]-6-methylpyridine-4-carbothioamide is CCCCN(c1cc(C(N)=S)cc(C)n1)C1CC1.
What is the InChIKey of 2-[butyl(cyclopropyl)amino]-6-methylpyridine-4-carbothioamide?
The InChIKey is JQDQCOUMIJEQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-3-4-7-17(12-5-6-12)13-9-11(14(15)18)8-10(2)16-13/h8-9,12H,3-7H2,1-2H3,(H2,15,18).
What are the key properties of 2-[butyl(cyclopropyl)amino]-6-methylpyridine-4-carbothioamide?
2-[butyl(cyclopropyl)amino]-6-methylpyridine-4-carbothioamide has a molecular weight of 263.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(cyclopropyl)amino]-6-methylpyridine-4-carbothioamide is sourced from PubChem (CID 114767350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).