1,10-phenanthroline-2,9-dicarboxamide

C14H10N4O2 — CID 10061431

IUPAC1,10-phenanthroline-2,9-dicarboxamide
SMILESNC(=O)c1ccc2ccc3ccc(C(N)=O)nc3c2n1
InChIInChI=1S/C14H10N4O2/c15-13(19)9-5-3-7-1-2-8-4-6-10(14(16)20)18-12(8)11(7)17-9/h1-6H,(H2,15,19)(H2,16,20)
InChIKeyDIEQJVMDQHNUTR-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.98
Rot. Bonds2

About 1,10-phenanthroline-2,9-dicarboxamide

1,10-phenanthroline-2,9-dicarboxamide (PubChem CID 10061431) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 1,10-phenanthroline-2,9-dicarboxamide.

Molecular Properties

Compound Name1,10-phenanthroline-2,9-dicarboxamide
PubChem CID10061431
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name1,10-phenanthroline-2,9-dicarboxamide
SMILESNC(=O)c1ccc2ccc3ccc(C(N)=O)nc3c2n1
InChIInChI=1S/C14H10N4O2/c15-13(19)9-5-3-7-1-2-8-4-6-10(14(16)20)18-12(8)11(7)17-9/h1-6H,(H2,15,19)(H2,16,20)
InChIKeyDIEQJVMDQHNUTR-UHFFFAOYSA-N
XLogP0.98
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-2,9-dicarboxamide?
The IUPAC name of 1,10-phenanthroline-2,9-dicarboxamide (CID 10061431) is 1,10-phenanthroline-2,9-dicarboxamide.
What is the SMILES notation for 1,10-phenanthroline-2,9-dicarboxamide?
The canonical SMILES for 1,10-phenanthroline-2,9-dicarboxamide is NC(=O)c1ccc2ccc3ccc(C(N)=O)nc3c2n1.
What is the InChIKey of 1,10-phenanthroline-2,9-dicarboxamide?
The InChIKey is DIEQJVMDQHNUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c15-13(19)9-5-3-7-1-2-8-4-6-10(14(16)20)18-12(8)11(7)17-9/h1-6H,(H2,15,19)(H2,16,20).
What are the key properties of 1,10-phenanthroline-2,9-dicarboxamide?
1,10-phenanthroline-2,9-dicarboxamide has a molecular weight of 266.26 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-phenanthroline-2,9-dicarboxamide is sourced from PubChem (CID 10061431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).