N'-(4-methylsulfanylphenyl)pyridine-2-carboximidamide

C13H13N3S — CID 59700907

IUPACN'-(4-methylsulfanylphenyl)pyridine-2-carboximidamide
SMILESCSc1ccc(/N=C(\N)c2ccccn2)cc1
InChIInChI=1S/C13H13N3S/c1-17-11-7-5-10(6-8-11)16-13(14)12-4-2-3-9-15-12/h2-9H,1H3,(H2,14,16)
InChIKeyPPEXBZUTFBAWBU-UHFFFAOYSA-N
MW243.34 g/mol
LogP2.84
Rot. Bonds3

About N'-(4-methylsulfanylphenyl)pyridine-2-carboximidamide

N'-(4-methylsulfanylphenyl)pyridine-2-carboximidamide (PubChem CID 59700907) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is N'-(4-methylsulfanylphenyl)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-(4-methylsulfanylphenyl)pyridine-2-carboximidamide
PubChem CID59700907
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC NameN'-(4-methylsulfanylphenyl)pyridine-2-carboximidamide
SMILESCSc1ccc(/N=C(\N)c2ccccn2)cc1
InChIInChI=1S/C13H13N3S/c1-17-11-7-5-10(6-8-11)16-13(14)12-4-2-3-9-15-12/h2-9H,1H3,(H2,14,16)
InChIKeyPPEXBZUTFBAWBU-UHFFFAOYSA-N
XLogP2.84
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(4-hydroxyphenyl)pyridine-2-carboximidamide
CID 136600312
N'-(4-methylsulfanylphenyl)pyridine-3-carboximidamide
CID 59700958
N'-aminopyridine-2-carboximidamide
CID 5464234
methyl N'-(4-methylsulfanylphenyl)carbamimidothioate
CID 130017977
ethane;N'-methylpyridine-2-carboximidamide
CID 143309787
N-(4-methylsulfanylphenyl)pyridine-2-carbothioamide
CID 14510213
2-[(Z)-3-methylsulfanylbut-2-en-2-yl]pyridine
CID 138698703
N'-(4-hydroxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane
CID 142299218
N'-[amino(methyl)amino]pyridine-2-carboximidamide
CID 172923686
N-(4-chlorophenyl)-1-pyridin-2-ylethanimine
CID 15815211
N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]-2-ethoxyphenyl]furan-2-yl]-3-ethoxyphenyl]pyridine-2-carboximidamide
CID 10119912
1,4-bis(methylsulfanyl)benzene;methanol
CID 143321779

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylsulfanylphenyl)pyridine-2-carboximidamide?
The IUPAC name of N'-(4-methylsulfanylphenyl)pyridine-2-carboximidamide (CID 59700907) is N'-(4-methylsulfanylphenyl)pyridine-2-carboximidamide.
What is the SMILES notation for N'-(4-methylsulfanylphenyl)pyridine-2-carboximidamide?
The canonical SMILES for N'-(4-methylsulfanylphenyl)pyridine-2-carboximidamide is CSc1ccc(/N=C(\N)c2ccccn2)cc1.
What is the InChIKey of N'-(4-methylsulfanylphenyl)pyridine-2-carboximidamide?
The InChIKey is PPEXBZUTFBAWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-17-11-7-5-10(6-8-11)16-13(14)12-4-2-3-9-15-12/h2-9H,1H3,(H2,14,16).
What are the key properties of N'-(4-methylsulfanylphenyl)pyridine-2-carboximidamide?
N'-(4-methylsulfanylphenyl)pyridine-2-carboximidamide has a molecular weight of 243.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylsulfanylphenyl)pyridine-2-carboximidamide is sourced from PubChem (CID 59700907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).