2-methyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carbothioamide

C14H16N4S — CID 114768022

IUPAC2-methyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(NCc2ccncc2C)n1
InChIInChI=1S/C14H16N4S/c1-9-7-16-4-3-11(9)8-17-13-6-12(14(15)19)5-10(2)18-13/h3-7H,8H2,1-2H3,(H2,15,19)(H,17,18)
InChIKeySZERPOAGSTUQPM-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.34
Rot. Bonds4

About 2-methyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carbothioamide

2-methyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carbothioamide (PubChem CID 114768022) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-methyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carbothioamide
PubChem CID114768022
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name2-methyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(NCc2ccncc2C)n1
InChIInChI=1S/C14H16N4S/c1-9-7-16-4-3-11(9)8-17-13-6-12(14(15)19)5-10(2)18-13/h3-7H,8H2,1-2H3,(H2,15,19)(H,17,18)
InChIKeySZERPOAGSTUQPM-UHFFFAOYSA-N
XLogP2.34
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-[(3-methyl-4-pyridinyl)methylamino]pyridine-2-carbothioamide
CID 114700514
2-methyl-6-[(4-propan-2-ylphenyl)methylamino]pyridine-4-carbothioamide
CID 114767533
2-chloro-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 114700702
2-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-4-carbothioamide
CID 114767829
3-[(3-methyl-4-pyridinyl)methylamino]pyridazine-4-carbothioamide
CID 114700515
5-amino-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxamide
CID 114090671
2-[(3-fluorophenyl)methylamino]-6-methylpyridine-4-carbothioamide
CID 114767192
2-[(3-methyl-4-pyridinyl)methylamino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 114700707
4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-carbothioamide
CID 114700504
6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 114702224
3-carbamothioyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700470
6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 114702346

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carbothioamide?
The IUPAC name of 2-methyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carbothioamide (CID 114768022) is 2-methyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carbothioamide.
What is the SMILES notation for 2-methyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carbothioamide?
The canonical SMILES for 2-methyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(NCc2ccncc2C)n1.
What is the InChIKey of 2-methyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carbothioamide?
The InChIKey is SZERPOAGSTUQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-9-7-16-4-3-11(9)8-17-13-6-12(14(15)19)5-10(2)18-13/h3-7H,8H2,1-2H3,(H2,15,19)(H,17,18).
What are the key properties of 2-methyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carbothioamide?
2-methyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carbothioamide has a molecular weight of 272.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carbothioamide is sourced from PubChem (CID 114768022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).