5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carbothioamide

C14H16N4S — CID 115488282

IUPAC5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carbothioamide
SMILESCN(CCc1ccncc1)c1ccc(C(N)=S)nc1
InChIInChI=1S/C14H16N4S/c1-18(9-6-11-4-7-16-8-5-11)12-2-3-13(14(15)19)17-10-12/h2-5,7-8,10H,6,9H2,1H3,(H2,15,19)
InChIKeyDKWZURSFAZGRLE-UHFFFAOYSA-N
MW272.38 g/mol
LogP1.79
Rot. Bonds5

About 5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carbothioamide

5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carbothioamide (PubChem CID 115488282) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carbothioamide
PubChem CID115488282
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carbothioamide
SMILESCN(CCc1ccncc1)c1ccc(C(N)=S)nc1
InChIInChI=1S/C14H16N4S/c1-18(9-6-11-4-7-16-8-5-11)12-2-3-13(14(15)19)17-10-12/h2-5,7-8,10H,6,9H2,1H3,(H2,15,19)
InChIKeyDKWZURSFAZGRLE-UHFFFAOYSA-N
XLogP1.79
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 51.79
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

6-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-3-amine
CID 115486899
5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carbothioamide
CID 113320985
5-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide
CID 109192958
N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109192950
5-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109192949
N-(3,5-dimethylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109192971
1-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]propan-1-ol
CID 115940386
(4-methylpiperidin-1-yl)-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]methanone
CID 109183274
N-(2,4-dimethylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109192968
5-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarbothioamide
CID 107928594
3-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 62969270
5-[(3-bromophenyl)methyl-methylamino]pyridine-2-carbothioamide
CID 115488314

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carbothioamide?
The IUPAC name of 5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carbothioamide (CID 115488282) is 5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carbothioamide.
What is the SMILES notation for 5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carbothioamide?
The canonical SMILES for 5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carbothioamide is CN(CCc1ccncc1)c1ccc(C(N)=S)nc1.
What is the InChIKey of 5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carbothioamide?
The InChIKey is DKWZURSFAZGRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-18(9-6-11-4-7-16-8-5-11)12-2-3-13(14(15)19)17-10-12/h2-5,7-8,10H,6,9H2,1H3,(H2,15,19).
What are the key properties of 5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carbothioamide?
5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carbothioamide has a molecular weight of 272.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carbothioamide is sourced from PubChem (CID 115488282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).