3-N-(5,6,7,8-tetrahydronaphthalen-2-yl)furo[2,3-c]pyridine-2,3-diamine

C17H17N3O — CID 118894406

IUPAC3-N-(5,6,7,8-tetrahydronaphthalen-2-yl)furo[2,3-c]pyridine-2,3-diamine
SMILESNc1oc2cnccc2c1Nc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H17N3O/c18-17-16(14-7-8-19-10-15(14)21-17)20-13-6-5-11-3-1-2-4-12(11)9-13/h5-10,20H,1-4,18H2
InChIKeyZKFMUMNEAQXGDR-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.03
Rot. Bonds2

About 3-N-(5,6,7,8-tetrahydronaphthalen-2-yl)furo[2,3-c]pyridine-2,3-diamine

3-N-(5,6,7,8-tetrahydronaphthalen-2-yl)furo[2,3-c]pyridine-2,3-diamine (PubChem CID 118894406) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-N-(5,6,7,8-tetrahydronaphthalen-2-yl)furo[2,3-c]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(5,6,7,8-tetrahydronaphthalen-2-yl)furo[2,3-c]pyridine-2,3-diamine
PubChem CID118894406
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-N-(5,6,7,8-tetrahydronaphthalen-2-yl)furo[2,3-c]pyridine-2,3-diamine
SMILESNc1oc2cnccc2c1Nc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H17N3O/c18-17-16(14-7-8-19-10-15(14)21-17)20-13-6-5-11-3-1-2-4-12(11)9-13/h5-10,20H,1-4,18H2
InChIKeyZKFMUMNEAQXGDR-UHFFFAOYSA-N
XLogP4.03
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(5,6,7,8-tetrahydronaphthalen-2-yl)furo[2,3-c]pyridine-2,3-diamine?
The IUPAC name of 3-N-(5,6,7,8-tetrahydronaphthalen-2-yl)furo[2,3-c]pyridine-2,3-diamine (CID 118894406) is 3-N-(5,6,7,8-tetrahydronaphthalen-2-yl)furo[2,3-c]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(5,6,7,8-tetrahydronaphthalen-2-yl)furo[2,3-c]pyridine-2,3-diamine?
The canonical SMILES for 3-N-(5,6,7,8-tetrahydronaphthalen-2-yl)furo[2,3-c]pyridine-2,3-diamine is Nc1oc2cnccc2c1Nc1ccc2c(c1)CCCC2.
What is the InChIKey of 3-N-(5,6,7,8-tetrahydronaphthalen-2-yl)furo[2,3-c]pyridine-2,3-diamine?
The InChIKey is ZKFMUMNEAQXGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-17-16(14-7-8-19-10-15(14)21-17)20-13-6-5-11-3-1-2-4-12(11)9-13/h5-10,20H,1-4,18H2.
What are the key properties of 3-N-(5,6,7,8-tetrahydronaphthalen-2-yl)furo[2,3-c]pyridine-2,3-diamine?
3-N-(5,6,7,8-tetrahydronaphthalen-2-yl)furo[2,3-c]pyridine-2,3-diamine has a molecular weight of 279.34 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5,6,7,8-tetrahydronaphthalen-2-yl)furo[2,3-c]pyridine-2,3-diamine is sourced from PubChem (CID 118894406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).