2-N,9-N-dipyridin-3-yl-1,10-phenanthroline-2,9-dicarboxamide

C24H16N6O2 — CID 155927483

IUPAC2-N,9-N-dipyridin-3-yl-1,10-phenanthroline-2,9-dicarboxamide
SMILESO=C(Nc1cccnc1)c1ccc2ccc3ccc(C(=O)Nc4cccnc4)nc3c2n1
InChIInChI=1S/C24H16N6O2/c31-23(27-17-3-1-11-25-13-17)19-9-7-15-5-6-16-8-10-20(30-22(16)21(15)29-19)24(32)28-18-4-2-12-26-14-18/h1-14H,(H,27,31)(H,28,32)
InChIKeyXILRLNBNGWXVJF-UHFFFAOYSA-N
MW420.43 g/mol
LogP4.08
Rot. Bonds4

About 2-N,9-N-dipyridin-3-yl-1,10-phenanthroline-2,9-dicarboxamide

2-N,9-N-dipyridin-3-yl-1,10-phenanthroline-2,9-dicarboxamide (PubChem CID 155927483) has the molecular formula C24H16N6O2 and a molecular weight of 420.43 g/mol. Its IUPAC name is 2-N,9-N-dipyridin-3-yl-1,10-phenanthroline-2,9-dicarboxamide.

Molecular Properties

Compound Name2-N,9-N-dipyridin-3-yl-1,10-phenanthroline-2,9-dicarboxamide
PubChem CID155927483
Molecular FormulaC24H16N6O2
Molecular Weight420.43 g/mol
Exact Mass420.13
IUPAC Name2-N,9-N-dipyridin-3-yl-1,10-phenanthroline-2,9-dicarboxamide
SMILESO=C(Nc1cccnc1)c1ccc2ccc3ccc(C(=O)Nc4cccnc4)nc3c2n1
InChIInChI=1S/C24H16N6O2/c31-23(27-17-3-1-11-25-13-17)19-9-7-15-5-6-16-8-10-20(30-22(16)21(15)29-19)24(32)28-18-4-2-12-26-14-18/h1-14H,(H,27,31)(H,28,32)
InChIKeyXILRLNBNGWXVJF-UHFFFAOYSA-N
XLogP4.08
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide
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N-pyridin-3-yl-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
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2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 141426406
2-chloro-N-pyridin-3-ylpyrimidine-4-carboxamide;fluoromethane
CID 142362008
5-carbamothioyl-N-pyridin-3-ylpyridine-2-carboxamide
CID 63723754
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
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6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide
CID 166481334

Frequently Asked Questions

What is the IUPAC name of 2-N,9-N-dipyridin-3-yl-1,10-phenanthroline-2,9-dicarboxamide?
The IUPAC name of 2-N,9-N-dipyridin-3-yl-1,10-phenanthroline-2,9-dicarboxamide (CID 155927483) is 2-N,9-N-dipyridin-3-yl-1,10-phenanthroline-2,9-dicarboxamide.
What is the SMILES notation for 2-N,9-N-dipyridin-3-yl-1,10-phenanthroline-2,9-dicarboxamide?
The canonical SMILES for 2-N,9-N-dipyridin-3-yl-1,10-phenanthroline-2,9-dicarboxamide is O=C(Nc1cccnc1)c1ccc2ccc3ccc(C(=O)Nc4cccnc4)nc3c2n1.
What is the InChIKey of 2-N,9-N-dipyridin-3-yl-1,10-phenanthroline-2,9-dicarboxamide?
The InChIKey is XILRLNBNGWXVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N6O2/c31-23(27-17-3-1-11-25-13-17)19-9-7-15-5-6-16-8-10-20(30-22(16)21(15)29-19)24(32)28-18-4-2-12-26-14-18/h1-14H,(H,27,31)(H,28,32).
What are the key properties of 2-N,9-N-dipyridin-3-yl-1,10-phenanthroline-2,9-dicarboxamide?
2-N,9-N-dipyridin-3-yl-1,10-phenanthroline-2,9-dicarboxamide has a molecular weight of 420.43 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,9-N-dipyridin-3-yl-1,10-phenanthroline-2,9-dicarboxamide is sourced from PubChem (CID 155927483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).