6-methoxy-2-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3-diamine

C13H17N3O2 — CID 113286476

IUPAC6-methoxy-2-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NC(C)c2ccc(C)o2)n1
InChIInChI=1S/C13H17N3O2/c1-8-4-6-11(18-8)9(2)15-13-10(14)5-7-12(16-13)17-3/h4-7,9H,14H2,1-3H3,(H,15,16)
InChIKeyZQVIKWRNPAAOGH-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.75
Rot. Bonds4

About 6-methoxy-2-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3-diamine

6-methoxy-2-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3-diamine (PubChem CID 113286476) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-methoxy-2-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3-diamine
PubChem CID113286476
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name6-methoxy-2-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NC(C)c2ccc(C)o2)n1
InChIInChI=1S/C13H17N3O2/c1-8-4-6-11(18-8)9(2)15-13-10(14)5-7-12(16-13)17-3/h4-7,9H,14H2,1-3H3,(H,15,16)
InChIKeyZQVIKWRNPAAOGH-UHFFFAOYSA-N
XLogP2.75
TPSA73.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3-diamine?
The IUPAC name of 6-methoxy-2-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3-diamine (CID 113286476) is 6-methoxy-2-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-methoxy-2-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3-diamine?
The canonical SMILES for 6-methoxy-2-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3-diamine is COc1ccc(N)c(NC(C)c2ccc(C)o2)n1.
What is the InChIKey of 6-methoxy-2-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3-diamine?
The InChIKey is ZQVIKWRNPAAOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-4-6-11(18-8)9(2)15-13-10(14)5-7-12(16-13)17-3/h4-7,9H,14H2,1-3H3,(H,15,16).
What are the key properties of 6-methoxy-2-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3-diamine?
6-methoxy-2-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3-diamine has a molecular weight of 247.30 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3-diamine is sourced from PubChem (CID 113286476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).