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

C14H16N4S — CID 114700504

IUPAC4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-carbothioamide
SMILESCc1cnccc1CNc1nccc(C)c1C(N)=S
InChIInChI=1S/C14H16N4S/c1-9-3-6-17-14(12(9)13(15)19)18-8-11-4-5-16-7-10(11)2/h3-7H,8H2,1-2H3,(H2,15,19)(H,17,18)
InChIKeyGBMJNGIHLFYXHJ-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.34
Rot. Bonds4

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

4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-carbothioamide (PubChem CID 114700504) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-carbothioamide
PubChem CID114700504
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-carbothioamide
SMILESCc1cnccc1CNc1nccc(C)c1C(N)=S
InChIInChI=1S/C14H16N4S/c1-9-3-6-17-14(12(9)13(15)19)18-8-11-4-5-16-7-10(11)2/h3-7H,8H2,1-2H3,(H2,15,19)(H,17,18)
InChIKeyGBMJNGIHLFYXHJ-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

3-[(3-methyl-4-pyridinyl)methylamino]pyridazine-4-carbothioamide
CID 114700515
2-(2,2-difluoroethylamino)-4-methylpyridine-3-carbothioamide
CID 115407203
3-[(3-methyl-4-pyridinyl)methylamino]pyrazine-2-carboxylic acid
CID 114701905
6-[(3-methyl-4-pyridinyl)methylamino]pyridine-2-carbothioamide
CID 114700514
4-methyl-2-(5,5,5-trifluoropentylamino)pyridine-3-carbothioamide
CID 115519906
2-methyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carbothioamide
CID 114768022
2-[2-(2-methoxyphenyl)ethylamino]-4-methylpyridine-3-carbothioamide
CID 106261389
5-bromo-N-[(3-methyl-4-pyridinyl)methyl]isoquinolin-1-amine
CID 106539986
4-methyl-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carbothioamide
CID 107585630
N-[(3-methyl-4-pyridinyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 114700770
2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylpyridine-3-carbothioamide
CID 83121322
5-amino-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxamide
CID 114090671

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-carbothioamide?
The IUPAC name of 4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-carbothioamide (CID 114700504) is 4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-carbothioamide.
What is the SMILES notation for 4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-carbothioamide?
The canonical SMILES for 4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-carbothioamide is Cc1cnccc1CNc1nccc(C)c1C(N)=S.
What is the InChIKey of 4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-carbothioamide?
The InChIKey is GBMJNGIHLFYXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-9-3-6-17-14(12(9)13(15)19)18-8-11-4-5-16-7-10(11)2/h3-7H,8H2,1-2H3,(H2,15,19)(H,17,18).
What are the key properties of 4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-carbothioamide?
4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-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 4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-carbothioamide is sourced from PubChem (CID 114700504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).