4-(furan-2-yl)-3-methanimidoyl-6-(4-methylsulfonylphenyl)pyridin-2-amine

C17H15N3O3S — CID 142908445

IUPAC4-(furan-2-yl)-3-methanimidoyl-6-(4-methylsulfonylphenyl)pyridin-2-amine
SMILES[H]/N=C/c1c(-c2ccco2)cc(-c2ccc(S(C)(=O)=O)cc2)nc1N
InChIInChI=1S/C17H15N3O3S/c1-24(21,22)12-6-4-11(5-7-12)15-9-13(16-3-2-8-23-16)14(10-18)17(19)20-15/h2-10,18H,1H3,(H2,19,20)/b18-10+
InChIKeyZBGBFXQJLDHTAF-VCHYOVAHSA-N
MW341.39 g/mol
LogP2.99
Rot. Bonds4

About 4-(furan-2-yl)-3-methanimidoyl-6-(4-methylsulfonylphenyl)pyridin-2-amine

4-(furan-2-yl)-3-methanimidoyl-6-(4-methylsulfonylphenyl)pyridin-2-amine (PubChem CID 142908445) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-(furan-2-yl)-3-methanimidoyl-6-(4-methylsulfonylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-3-methanimidoyl-6-(4-methylsulfonylphenyl)pyridin-2-amine
PubChem CID142908445
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name4-(furan-2-yl)-3-methanimidoyl-6-(4-methylsulfonylphenyl)pyridin-2-amine
SMILES[H]/N=C/c1c(-c2ccco2)cc(-c2ccc(S(C)(=O)=O)cc2)nc1N
InChIInChI=1S/C17H15N3O3S/c1-24(21,22)12-6-4-11(5-7-12)15-9-13(16-3-2-8-23-16)14(10-18)17(19)20-15/h2-10,18H,1H3,(H2,19,20)/b18-10+
InChIKeyZBGBFXQJLDHTAF-VCHYOVAHSA-N
XLogP2.99
TPSA110.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-3-methanimidoyl-6-(4-methylsulfonylphenyl)pyridin-2-amine?
The IUPAC name of 4-(furan-2-yl)-3-methanimidoyl-6-(4-methylsulfonylphenyl)pyridin-2-amine (CID 142908445) is 4-(furan-2-yl)-3-methanimidoyl-6-(4-methylsulfonylphenyl)pyridin-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-3-methanimidoyl-6-(4-methylsulfonylphenyl)pyridin-2-amine?
The canonical SMILES for 4-(furan-2-yl)-3-methanimidoyl-6-(4-methylsulfonylphenyl)pyridin-2-amine is [H]/N=C/c1c(-c2ccco2)cc(-c2ccc(S(C)(=O)=O)cc2)nc1N.
What is the InChIKey of 4-(furan-2-yl)-3-methanimidoyl-6-(4-methylsulfonylphenyl)pyridin-2-amine?
The InChIKey is ZBGBFXQJLDHTAF-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-24(21,22)12-6-4-11(5-7-12)15-9-13(16-3-2-8-23-16)14(10-18)17(19)20-15/h2-10,18H,1H3,(H2,19,20)/b18-10+.
What are the key properties of 4-(furan-2-yl)-3-methanimidoyl-6-(4-methylsulfonylphenyl)pyridin-2-amine?
4-(furan-2-yl)-3-methanimidoyl-6-(4-methylsulfonylphenyl)pyridin-2-amine has a molecular weight of 341.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-3-methanimidoyl-6-(4-methylsulfonylphenyl)pyridin-2-amine is sourced from PubChem (CID 142908445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).