1,10-phenanthroline-4-carboxamide

C13H9N3O — CID 54105140

IUPAC1,10-phenanthroline-4-carboxamide
SMILESNC(=O)c1ccnc2c1ccc1cccnc12
InChIInChI=1S/C13H9N3O/c14-13(17)10-5-7-16-12-9(10)4-3-8-2-1-6-15-11(8)12/h1-7H,(H2,14,17)
InChIKeyNDFJVHTVPZVFLW-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.88
Rot. Bonds1

About 1,10-phenanthroline-4-carboxamide

1,10-phenanthroline-4-carboxamide (PubChem CID 54105140) has the molecular formula C13H9N3O and a molecular weight of 223.24 g/mol. Its IUPAC name is 1,10-phenanthroline-4-carboxamide.

Molecular Properties

Compound Name1,10-phenanthroline-4-carboxamide
PubChem CID54105140
Molecular FormulaC13H9N3O
Molecular Weight223.24 g/mol
Exact Mass223.07
IUPAC Name1,10-phenanthroline-4-carboxamide
SMILESNC(=O)c1ccnc2c1ccc1cccnc12
InChIInChI=1S/C13H9N3O/c14-13(17)10-5-7-16-12-9(10)4-3-8-2-1-6-15-11(8)12/h1-7H,(H2,14,17)
InChIKeyNDFJVHTVPZVFLW-UHFFFAOYSA-N
XLogP1.88
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,10-phenanthroline-4-carboxamide?
The IUPAC name of 1,10-phenanthroline-4-carboxamide (CID 54105140) is 1,10-phenanthroline-4-carboxamide.
What is the SMILES notation for 1,10-phenanthroline-4-carboxamide?
The canonical SMILES for 1,10-phenanthroline-4-carboxamide is NC(=O)c1ccnc2c1ccc1cccnc12.
What is the InChIKey of 1,10-phenanthroline-4-carboxamide?
The InChIKey is NDFJVHTVPZVFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c14-13(17)10-5-7-16-12-9(10)4-3-8-2-1-6-15-11(8)12/h1-7H,(H2,14,17).
What are the key properties of 1,10-phenanthroline-4-carboxamide?
1,10-phenanthroline-4-carboxamide has a molecular weight of 223.24 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-phenanthroline-4-carboxamide is sourced from PubChem (CID 54105140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).