2-aminonaphthalene-1,8-dicarboxamide

C12H11N3O2 — CID 70248855

IUPAC2-aminonaphthalene-1,8-dicarboxamide
SMILESNC(=O)c1cccc2ccc(N)c(C(N)=O)c12
InChIInChI=1S/C12H11N3O2/c13-8-5-4-6-2-1-3-7(11(14)16)9(6)10(8)12(15)17/h1-5H,13H2,(H2,14,16)(H2,15,17)
InChIKeyACCZYPOPPFLQDR-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.62
Rot. Bonds2

About 2-aminonaphthalene-1,8-dicarboxamide

2-aminonaphthalene-1,8-dicarboxamide (PubChem CID 70248855) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-aminonaphthalene-1,8-dicarboxamide.

Molecular Properties

Compound Name2-aminonaphthalene-1,8-dicarboxamide
PubChem CID70248855
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2-aminonaphthalene-1,8-dicarboxamide
SMILESNC(=O)c1cccc2ccc(N)c(C(N)=O)c12
InChIInChI=1S/C12H11N3O2/c13-8-5-4-6-2-1-3-7(11(14)16)9(6)10(8)12(15)17/h1-5H,13H2,(H2,14,16)(H2,15,17)
InChIKeyACCZYPOPPFLQDR-UHFFFAOYSA-N
XLogP0.62
TPSA112.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminonaphthalene-1,8-dicarboxamide?
The IUPAC name of 2-aminonaphthalene-1,8-dicarboxamide (CID 70248855) is 2-aminonaphthalene-1,8-dicarboxamide.
What is the SMILES notation for 2-aminonaphthalene-1,8-dicarboxamide?
The canonical SMILES for 2-aminonaphthalene-1,8-dicarboxamide is NC(=O)c1cccc2ccc(N)c(C(N)=O)c12.
What is the InChIKey of 2-aminonaphthalene-1,8-dicarboxamide?
The InChIKey is ACCZYPOPPFLQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c13-8-5-4-6-2-1-3-7(11(14)16)9(6)10(8)12(15)17/h1-5H,13H2,(H2,14,16)(H2,15,17).
What are the key properties of 2-aminonaphthalene-1,8-dicarboxamide?
2-aminonaphthalene-1,8-dicarboxamide has a molecular weight of 229.24 g/mol, XLogP of 0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminonaphthalene-1,8-dicarboxamide is sourced from PubChem (CID 70248855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).