N-(furan-3-ylmethyl)-5-methoxy-6-(4-methylsulfonylphenyl)pyridin-2-amine

C18H18N2O4S — CID 167628850

IUPACN-(furan-3-ylmethyl)-5-methoxy-6-(4-methylsulfonylphenyl)pyridin-2-amine
SMILESCOc1ccc(NCc2ccoc2)nc1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H18N2O4S/c1-23-16-7-8-17(19-11-13-9-10-24-12-13)20-18(16)14-3-5-15(6-4-14)25(2,21)22/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyNMQNLOSKICUAOI-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.37
Rot. Bonds6

About N-(furan-3-ylmethyl)-5-methoxy-6-(4-methylsulfonylphenyl)pyridin-2-amine

N-(furan-3-ylmethyl)-5-methoxy-6-(4-methylsulfonylphenyl)pyridin-2-amine (PubChem CID 167628850) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-5-methoxy-6-(4-methylsulfonylphenyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-5-methoxy-6-(4-methylsulfonylphenyl)pyridin-2-amine
PubChem CID167628850
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-(furan-3-ylmethyl)-5-methoxy-6-(4-methylsulfonylphenyl)pyridin-2-amine
SMILESCOc1ccc(NCc2ccoc2)nc1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H18N2O4S/c1-23-16-7-8-17(19-11-13-9-10-24-12-13)20-18(16)14-3-5-15(6-4-14)25(2,21)22/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyNMQNLOSKICUAOI-UHFFFAOYSA-N
XLogP3.37
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-5-methoxy-6-(4-methylsulfonylphenyl)pyridin-2-amine?
The IUPAC name of N-(furan-3-ylmethyl)-5-methoxy-6-(4-methylsulfonylphenyl)pyridin-2-amine (CID 167628850) is N-(furan-3-ylmethyl)-5-methoxy-6-(4-methylsulfonylphenyl)pyridin-2-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-5-methoxy-6-(4-methylsulfonylphenyl)pyridin-2-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-5-methoxy-6-(4-methylsulfonylphenyl)pyridin-2-amine is COc1ccc(NCc2ccoc2)nc1-c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-(furan-3-ylmethyl)-5-methoxy-6-(4-methylsulfonylphenyl)pyridin-2-amine?
The InChIKey is NMQNLOSKICUAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-23-16-7-8-17(19-11-13-9-10-24-12-13)20-18(16)14-3-5-15(6-4-14)25(2,21)22/h3-10,12H,11H2,1-2H3,(H,19,20).
What are the key properties of N-(furan-3-ylmethyl)-5-methoxy-6-(4-methylsulfonylphenyl)pyridin-2-amine?
N-(furan-3-ylmethyl)-5-methoxy-6-(4-methylsulfonylphenyl)pyridin-2-amine has a molecular weight of 358.42 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-5-methoxy-6-(4-methylsulfonylphenyl)pyridin-2-amine is sourced from PubChem (CID 167628850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).