2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carbothioamide

C14H22N4S — CID 63234244

IUPAC2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carbothioamide
SMILESCN1CCC(CN(C)c2cc(C(N)=S)ccn2)CC1
InChIInChI=1S/C14H22N4S/c1-17-7-4-11(5-8-17)10-18(2)13-9-12(14(15)19)3-6-16-13/h3,6,9,11H,4-5,7-8,10H2,1-2H3,(H2,15,19)
InChIKeyUJTUKJPAFPAWIX-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.49
Rot. Bonds4

About 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carbothioamide

2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carbothioamide (PubChem CID 63234244) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carbothioamide
PubChem CID63234244
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carbothioamide
SMILESCN1CCC(CN(C)c2cc(C(N)=S)ccn2)CC1
InChIInChI=1S/C14H22N4S/c1-17-7-4-11(5-8-17)10-18(2)13-9-12(14(15)19)3-6-16-13/h3,6,9,11H,4-5,7-8,10H2,1-2H3,(H2,15,19)
InChIKeyUJTUKJPAFPAWIX-UHFFFAOYSA-N
XLogP1.49
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.49
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-[methyl(oxan-4-ylmethyl)amino]pyridine-4-carbothioamide
CID 63706028
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carbothioamide
CID 79318536
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-4-carbothioamide
CID 107547438
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazine-2-carbothioamide
CID 63234371
N-methyl-4-(methylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 63234682
2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carbothioamide
CID 63695419
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
CID 63274025
[5-chloro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-pyridinyl]methanol
CID 114920398
2-[methyl(pentan-2-yl)amino]pyridine-4-carbothioamide
CID 43572453
4-N-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 80828094
2-[(4-carbamothioyl-2-pyridinyl)-methylamino]-N,N-diethylacetamide
CID 61452633
3-fluoro-4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzenecarbothioamide
CID 63275566

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carbothioamide?
The IUPAC name of 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carbothioamide (CID 63234244) is 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carbothioamide.
What is the SMILES notation for 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carbothioamide?
The canonical SMILES for 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carbothioamide is CN1CCC(CN(C)c2cc(C(N)=S)ccn2)CC1.
What is the InChIKey of 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carbothioamide?
The InChIKey is UJTUKJPAFPAWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-17-7-4-11(5-8-17)10-18(2)13-9-12(14(15)19)3-6-16-13/h3,6,9,11H,4-5,7-8,10H2,1-2H3,(H2,15,19).
What are the key properties of 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carbothioamide?
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carbothioamide has a molecular weight of 278.42 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carbothioamide is sourced from PubChem (CID 63234244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).