6-[butyl(methyl)amino]pyridine-3-carbothioamide

C11H17N3S — CID 24696338

IUPAC6-[butyl(methyl)amino]pyridine-3-carbothioamide
SMILESCCCCN(C)c1ccc(C(N)=S)cn1
InChIInChI=1S/C11H17N3S/c1-3-4-7-14(2)10-6-5-9(8-13-10)11(12)15/h5-6,8H,3-4,7H2,1-2H3,(H2,12,15)
InChIKeyMPHGDWBGCMQZLQ-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.95
Rot. Bonds5

About 6-[butyl(methyl)amino]pyridine-3-carbothioamide

6-[butyl(methyl)amino]pyridine-3-carbothioamide (PubChem CID 24696338) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-[butyl(methyl)amino]pyridine-3-carbothioamide
PubChem CID24696338
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name6-[butyl(methyl)amino]pyridine-3-carbothioamide
SMILESCCCCN(C)c1ccc(C(N)=S)cn1
InChIInChI=1S/C11H17N3S/c1-3-4-7-14(2)10-6-5-9(8-13-10)11(12)15/h5-6,8H,3-4,7H2,1-2H3,(H2,12,15)
InChIKeyMPHGDWBGCMQZLQ-UHFFFAOYSA-N
XLogP1.95
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.95
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-[(5-carbamothioyl-2-pyridinyl)-methylamino]acetamide
CID 43374278
2-[(5-carbamothioyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide
CID 43375361
6-[methyl(propan-2-yl)amino]pyridine-3-carbothioamide
CID 24700897
6-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carbothioamide
CID 43565707
6-[2-hydroxyethyl(pentan-3-yl)amino]pyridine-3-carbothioamide
CID 54998874
5-(bromomethyl)-N-butyl-N-methylpyridin-2-amine
CID 107079248
6-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carbothioamide
CID 114949466
6-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-3-carbothioamide
CID 61442067
6-[butyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158137
6-[bis(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 61378479
5-(2-aminopropyl)-N-methyl-N-pentylpyridin-2-amine
CID 80633509
6-[cyclopentyl(methyl)amino]pyridine-3-carbothioamide
CID 43267331

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(methyl)amino]pyridine-3-carbothioamide?
The IUPAC name of 6-[butyl(methyl)amino]pyridine-3-carbothioamide (CID 24696338) is 6-[butyl(methyl)amino]pyridine-3-carbothioamide.
What is the SMILES notation for 6-[butyl(methyl)amino]pyridine-3-carbothioamide?
The canonical SMILES for 6-[butyl(methyl)amino]pyridine-3-carbothioamide is CCCCN(C)c1ccc(C(N)=S)cn1.
What is the InChIKey of 6-[butyl(methyl)amino]pyridine-3-carbothioamide?
The InChIKey is MPHGDWBGCMQZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-3-4-7-14(2)10-6-5-9(8-13-10)11(12)15/h5-6,8H,3-4,7H2,1-2H3,(H2,12,15).
What are the key properties of 6-[butyl(methyl)amino]pyridine-3-carbothioamide?
6-[butyl(methyl)amino]pyridine-3-carbothioamide has a molecular weight of 223.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(methyl)amino]pyridine-3-carbothioamide is sourced from PubChem (CID 24696338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).