2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-4-carboximidamide

C16H17N3O — CID 61398835

IUPAC2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C16H17N3O/c17-16(18)13-7-8-19-15(10-13)20-14-6-5-11-3-1-2-4-12(11)9-14/h5-10H,1-4H2,(H3,17,18)
InChIKeyZMRYFEHBYZATMH-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.04
Rot. Bonds3

About 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-4-carboximidamide

2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-4-carboximidamide (PubChem CID 61398835) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-4-carboximidamide
PubChem CID61398835
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C16H17N3O/c17-16(18)13-7-8-19-15(10-13)20-14-6-5-11-3-1-2-4-12(11)9-14/h5-10H,1-4H2,(H3,17,18)
InChIKeyZMRYFEHBYZATMH-UHFFFAOYSA-N
XLogP3.04
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-4-carboximidamide?
The IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-4-carboximidamide (CID 61398835) is 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-4-carboximidamide.
What is the SMILES notation for 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-4-carboximidamide?
The canonical SMILES for 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(Oc2ccc3c(c2)CCCC3)c1.
What is the InChIKey of 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-4-carboximidamide?
The InChIKey is ZMRYFEHBYZATMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-16(18)13-7-8-19-15(10-13)20-14-6-5-11-3-1-2-4-12(11)9-14/h5-10H,1-4H2,(H3,17,18).
What are the key properties of 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-4-carboximidamide?
2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-4-carboximidamide has a molecular weight of 267.33 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-4-carboximidamide is sourced from PubChem (CID 61398835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).