6-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carbothioamide

C13H14N4S — CID 43565707

IUPAC6-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carbothioamide
SMILESCN(Cc1ccccn1)c1ccc(C(N)=S)cn1
InChIInChI=1S/C13H14N4S/c1-17(9-11-4-2-3-7-15-11)12-6-5-10(8-16-12)13(14)18/h2-8H,9H2,1H3,(H2,14,18)
InChIKeyZICVNUZWMRYTOA-UHFFFAOYSA-N
MW258.35 g/mol
LogP1.75
Rot. Bonds4

About 6-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carbothioamide

6-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carbothioamide (PubChem CID 43565707) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 6-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carbothioamide
PubChem CID43565707
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name6-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carbothioamide
SMILESCN(Cc1ccccn1)c1ccc(C(N)=S)cn1
InChIInChI=1S/C13H14N4S/c1-17(9-11-4-2-3-7-15-11)12-6-5-10(8-16-12)13(14)18/h2-8H,9H2,1H3,(H2,14,18)
InChIKeyZICVNUZWMRYTOA-UHFFFAOYSA-N
XLogP1.75
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 51.75
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

2-[(5-carbamothioyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide
CID 43375361
2-[(5-carbamothioyl-2-pyridinyl)-methylamino]acetamide
CID 43374278
6-[butyl(methyl)amino]pyridine-3-carbothioamide
CID 24696338
5-(chloromethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 61256200
6-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-3-carbothioamide
CID 61442067
2-N,6-N-dimethyl-2-N,6-N-bis(pyridin-2-ylmethyl)pyrazine-2,6-diamine
CID 100671089
6-(2-pyridin-2-ylethoxy)pyridine-3-carbothioamide
CID 43128879
2-chloro-6-[methyl(pyridin-2-ylmethyl)amino]benzenecarbothioamide
CID 62502960
2-bromo-6-[methyl(pyridin-2-ylmethyl)amino]benzenecarbothioamide
CID 114882000
3-[methyl(pyridin-2-ylmethyl)amino]butanethioamide
CID 60914342
5-bromo-2-[methyl(pyridin-2-ylmethyl)amino]benzenecarbothioamide
CID 114891368
6-[methyl(propan-2-yl)amino]pyridine-3-carbothioamide
CID 24700897

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carbothioamide?
The IUPAC name of 6-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carbothioamide (CID 43565707) is 6-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carbothioamide.
What is the SMILES notation for 6-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carbothioamide?
The canonical SMILES for 6-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carbothioamide is CN(Cc1ccccn1)c1ccc(C(N)=S)cn1.
What is the InChIKey of 6-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carbothioamide?
The InChIKey is ZICVNUZWMRYTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-17(9-11-4-2-3-7-15-11)12-6-5-10(8-16-12)13(14)18/h2-8H,9H2,1H3,(H2,14,18).
What are the key properties of 6-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carbothioamide?
6-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carbothioamide has a molecular weight of 258.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carbothioamide is sourced from PubChem (CID 43565707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).