2-[(E)-[6-(pyridin-3-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine

C17H19N5O — CID 11381310

IUPAC2-[(E)-[6-(pyridin-3-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine
SMILESNC(N)=N/N=C1\CCCc2cc(OCc3cccnc3)ccc21
InChIInChI=1S/C17H19N5O/c18-17(19)22-21-16-5-1-4-13-9-14(6-7-15(13)16)23-11-12-3-2-8-20-10-12/h2-3,6-10H,1,4-5,11H2,(H4,18,19,22)/b21-16+
InChIKeyLJIMDYJOGLVSJR-LTGZKZEYSA-N
MW309.37 g/mol
LogP1.97
Rot. Bonds4

About 2-[(E)-[6-(pyridin-3-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine

2-[(E)-[6-(pyridin-3-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine (PubChem CID 11381310) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[(E)-[6-(pyridin-3-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(E)-[6-(pyridin-3-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine
PubChem CID11381310
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-[(E)-[6-(pyridin-3-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine
SMILESNC(N)=N/N=C1\CCCc2cc(OCc3cccnc3)ccc21
InChIInChI=1S/C17H19N5O/c18-17(19)22-21-16-5-1-4-13-9-14(6-7-15(13)16)23-11-12-3-2-8-20-10-12/h2-3,6-10H,1,4-5,11H2,(H4,18,19,22)/b21-16+
InChIKeyLJIMDYJOGLVSJR-LTGZKZEYSA-N
XLogP1.97
TPSA98.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[6-(pyridin-3-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine?
The IUPAC name of 2-[(E)-[6-(pyridin-3-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine (CID 11381310) is 2-[(E)-[6-(pyridin-3-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine.
What is the SMILES notation for 2-[(E)-[6-(pyridin-3-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine?
The canonical SMILES for 2-[(E)-[6-(pyridin-3-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine is NC(N)=N/N=C1\CCCc2cc(OCc3cccnc3)ccc21.
What is the InChIKey of 2-[(E)-[6-(pyridin-3-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine?
The InChIKey is LJIMDYJOGLVSJR-LTGZKZEYSA-N. The full InChI is InChI=1S/C17H19N5O/c18-17(19)22-21-16-5-1-4-13-9-14(6-7-15(13)16)23-11-12-3-2-8-20-10-12/h2-3,6-10H,1,4-5,11H2,(H4,18,19,22)/b21-16+.
What are the key properties of 2-[(E)-[6-(pyridin-3-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine?
2-[(E)-[6-(pyridin-3-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine has a molecular weight of 309.37 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[6-(pyridin-3-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine is sourced from PubChem (CID 11381310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).