4-N-butyl-7-N-propyl-1,10-phenanthroline-4,7-dicarboxamide

C21H24N4O2 — CID 18719623

IUPAC4-N-butyl-7-N-propyl-1,10-phenanthroline-4,7-dicarboxamide
SMILESCCCCNC(=O)c1ccnc2c1ccc1c(C(=O)NCCC)ccnc12
InChIInChI=1S/C21H24N4O2/c1-3-5-11-25-21(27)17-9-13-23-19-15(17)7-6-14-16(8-12-22-18(14)19)20(26)24-10-4-2/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyDPLOIQHLIWJHEX-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.45
Rot. Bonds7

About 4-N-butyl-7-N-propyl-1,10-phenanthroline-4,7-dicarboxamide

4-N-butyl-7-N-propyl-1,10-phenanthroline-4,7-dicarboxamide (PubChem CID 18719623) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-N-butyl-7-N-propyl-1,10-phenanthroline-4,7-dicarboxamide.

Molecular Properties

Compound Name4-N-butyl-7-N-propyl-1,10-phenanthroline-4,7-dicarboxamide
PubChem CID18719623
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-N-butyl-7-N-propyl-1,10-phenanthroline-4,7-dicarboxamide
SMILESCCCCNC(=O)c1ccnc2c1ccc1c(C(=O)NCCC)ccnc12
InChIInChI=1S/C21H24N4O2/c1-3-5-11-25-21(27)17-9-13-23-19-15(17)7-6-14-16(8-12-22-18(14)19)20(26)24-10-4-2/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyDPLOIQHLIWJHEX-UHFFFAOYSA-N
XLogP3.45
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N,7-N-dimethyl-1,10-phenanthroline-4,7-dicarboxamide
CID 12017524
4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide
CID 57338151
1-N,3-N,6-N,8-N-tetra(tetradecyl)pyrene-1,3,6,8-tetracarboxamide
CID 102360189
6-amino-N-butylisoquinoline-1-carboxamide
CID 82571716
N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279
N-butylpyridine-4-carboxamide
CID 5030535
4-amino-N-butylnaphthalene-1-carboxamide
CID 70501501
N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 58897016
3-fluoro-2-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 105385761
2-amino-3-nitro-N-pentylpyridine-4-carboxamide
CID 67636617
N-butyl-3-methylpyrazine-2-carboxamide
CID 130272239
N-butyl-1-(methylamino)isoquinoline-4-carboxamide
CID 106769901

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-7-N-propyl-1,10-phenanthroline-4,7-dicarboxamide?
The IUPAC name of 4-N-butyl-7-N-propyl-1,10-phenanthroline-4,7-dicarboxamide (CID 18719623) is 4-N-butyl-7-N-propyl-1,10-phenanthroline-4,7-dicarboxamide.
What is the SMILES notation for 4-N-butyl-7-N-propyl-1,10-phenanthroline-4,7-dicarboxamide?
The canonical SMILES for 4-N-butyl-7-N-propyl-1,10-phenanthroline-4,7-dicarboxamide is CCCCNC(=O)c1ccnc2c1ccc1c(C(=O)NCCC)ccnc12.
What is the InChIKey of 4-N-butyl-7-N-propyl-1,10-phenanthroline-4,7-dicarboxamide?
The InChIKey is DPLOIQHLIWJHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-3-5-11-25-21(27)17-9-13-23-19-15(17)7-6-14-16(8-12-22-18(14)19)20(26)24-10-4-2/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 4-N-butyl-7-N-propyl-1,10-phenanthroline-4,7-dicarboxamide?
4-N-butyl-7-N-propyl-1,10-phenanthroline-4,7-dicarboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-7-N-propyl-1,10-phenanthroline-4,7-dicarboxamide is sourced from PubChem (CID 18719623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).