2-(pyridin-2-ylmethylamino)naphthalene-1,4-dione

C16H12N2O2 — CID 2755900

IUPAC2-(pyridin-2-ylmethylamino)naphthalene-1,4-dione
SMILESO=C1C=C(NCc2ccccn2)C(=O)c2ccccc21
InChIInChI=1S/C16H12N2O2/c19-15-9-14(18-10-11-5-3-4-8-17-11)16(20)13-7-2-1-6-12(13)15/h1-9,18H,10H2
InChIKeyVJWHJPDTHAMLOA-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.13
Rot. Bonds3

About 2-(pyridin-2-ylmethylamino)naphthalene-1,4-dione

2-(pyridin-2-ylmethylamino)naphthalene-1,4-dione (PubChem CID 2755900) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethylamino)naphthalene-1,4-dione.

Molecular Properties

Compound Name2-(pyridin-2-ylmethylamino)naphthalene-1,4-dione
PubChem CID2755900
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name2-(pyridin-2-ylmethylamino)naphthalene-1,4-dione
SMILESO=C1C=C(NCc2ccccn2)C(=O)c2ccccc21
InChIInChI=1S/C16H12N2O2/c19-15-9-14(18-10-11-5-3-4-8-17-11)16(20)13-7-2-1-6-12(13)15/h1-9,18H,10H2
InChIKeyVJWHJPDTHAMLOA-UHFFFAOYSA-N
XLogP2.13
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethylamino)naphthalene-1,4-dione?
The IUPAC name of 2-(pyridin-2-ylmethylamino)naphthalene-1,4-dione (CID 2755900) is 2-(pyridin-2-ylmethylamino)naphthalene-1,4-dione.
What is the SMILES notation for 2-(pyridin-2-ylmethylamino)naphthalene-1,4-dione?
The canonical SMILES for 2-(pyridin-2-ylmethylamino)naphthalene-1,4-dione is O=C1C=C(NCc2ccccn2)C(=O)c2ccccc21.
What is the InChIKey of 2-(pyridin-2-ylmethylamino)naphthalene-1,4-dione?
The InChIKey is VJWHJPDTHAMLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-15-9-14(18-10-11-5-3-4-8-17-11)16(20)13-7-2-1-6-12(13)15/h1-9,18H,10H2.
What are the key properties of 2-(pyridin-2-ylmethylamino)naphthalene-1,4-dione?
2-(pyridin-2-ylmethylamino)naphthalene-1,4-dione has a molecular weight of 264.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethylamino)naphthalene-1,4-dione is sourced from PubChem (CID 2755900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).