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

C13H20N4S — CID 79313788

IUPAC4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carbothioamide
SMILESCN(CC1CCCN1C)c1ccnc(C(N)=S)c1
InChIInChI=1S/C13H20N4S/c1-16-7-3-4-11(16)9-17(2)10-5-6-15-12(8-10)13(14)18/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,14,18)
InChIKeyCIMAUOPEFJOGAS-UHFFFAOYSA-N
MW264.40 g/mol
LogP1.25
Rot. Bonds4

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

4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carbothioamide (PubChem CID 79313788) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carbothioamide
PubChem CID79313788
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carbothioamide
SMILESCN(CC1CCCN1C)c1ccnc(C(N)=S)c1
InChIInChI=1S/C13H20N4S/c1-16-7-3-4-11(16)9-17(2)10-5-6-15-12(8-10)13(14)18/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,14,18)
InChIKeyCIMAUOPEFJOGAS-UHFFFAOYSA-N
XLogP1.25
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 51.25
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-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carboximidamide
CID 79314423
2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine
CID 102824295
[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 56896146
2-amino-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide
CID 79313258
4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 79303386
4-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridine-2-carboxamide
CID 128981639
5-bromo-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarbothioamide
CID 114891907
N'-hydroxy-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarboximidamide
CID 79314161
4,6-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carbothioamide
CID 79314276
(1S)-1-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol
CID 79318960
4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridazin-3-amine
CID 80509123
5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-3-amine
CID 104531843

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carbothioamide?
The IUPAC name of 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carbothioamide (CID 79313788) is 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carbothioamide.
What is the SMILES notation for 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carbothioamide?
The canonical SMILES for 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carbothioamide is CN(CC1CCCN1C)c1ccnc(C(N)=S)c1.
What is the InChIKey of 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carbothioamide?
The InChIKey is CIMAUOPEFJOGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-16-7-3-4-11(16)9-17(2)10-5-6-15-12(8-10)13(14)18/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,14,18).
What are the key properties of 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carbothioamide?
4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carbothioamide has a molecular weight of 264.40 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carbothioamide is sourced from PubChem (CID 79313788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).