4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]pyridine-2-carbothioamide

C14H22N4S — CID 63882888

IUPAC4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]pyridine-2-carbothioamide
SMILESCN(CCN1CCCC1)Cc1ccnc(C(N)=S)c1
InChIInChI=1S/C14H22N4S/c1-17(8-9-18-6-2-3-7-18)11-12-4-5-16-13(10-12)14(15)19/h4-5,10H,2-3,6-9,11H2,1H3,(H2,15,19)
InChIKeyBOQZQPGKMKKCSQ-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.24
Rot. Bonds6

About 4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]pyridine-2-carbothioamide

4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]pyridine-2-carbothioamide (PubChem CID 63882888) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]pyridine-2-carbothioamide
PubChem CID63882888
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]pyridine-2-carbothioamide
SMILESCN(CCN1CCCC1)Cc1ccnc(C(N)=S)c1
InChIInChI=1S/C14H22N4S/c1-17(8-9-18-6-2-3-7-18)11-12-4-5-16-13(10-12)14(15)19/h4-5,10H,2-3,6-9,11H2,1H3,(H2,15,19)
InChIKeyBOQZQPGKMKKCSQ-UHFFFAOYSA-N
XLogP1.24
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.24
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

4-[[methyl(propyl)amino]methyl]pyridine-2-carbothioamide
CID 63883438
4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]pyridine-2-carbothioamide
CID 63883270
4-[(dimethylamino)methyl]pyridine-2-carbothioamide
CID 63882857
4-[[benzyl(methyl)amino]methyl]pyridine-2-carbothioamide
CID 63882465
4-[[(4-fluorophenyl)methyl-methylamino]methyl]pyridine-2-carbothioamide
CID 63881697
4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridine-2-carbothioamide
CID 63883435
3-[[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]benzenecarbothioamide
CID 82888620
4-[[methyl(propan-2-yl)amino]methyl]pyridine-2-carbothioamide
CID 63881095
4-[(4-acetyl-1,4-diazepan-1-yl)methyl]pyridine-2-carbothioamide
CID 63881119
4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]pyridine-2-carbothioamide
CID 63881324
4-[(4-fluoro-N-methylanilino)methyl]pyridine-2-carbothioamide
CID 63883459
4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pyridine-2-carbothioamide
CID 63880713

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]pyridine-2-carbothioamide?
The IUPAC name of 4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]pyridine-2-carbothioamide (CID 63882888) is 4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]pyridine-2-carbothioamide.
What is the SMILES notation for 4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]pyridine-2-carbothioamide?
The canonical SMILES for 4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]pyridine-2-carbothioamide is CN(CCN1CCCC1)Cc1ccnc(C(N)=S)c1.
What is the InChIKey of 4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]pyridine-2-carbothioamide?
The InChIKey is BOQZQPGKMKKCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-17(8-9-18-6-2-3-7-18)11-12-4-5-16-13(10-12)14(15)19/h4-5,10H,2-3,6-9,11H2,1H3,(H2,15,19).
What are the key properties of 4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]pyridine-2-carbothioamide?
4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]pyridine-2-carbothioamide has a molecular weight of 278.42 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]pyridine-2-carbothioamide is sourced from PubChem (CID 63882888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).