4-N,7-N-dimethyl-1,10-phenanthroline-4,7-dicarboxamide

C16H14N4O2 — CID 12017524

IUPAC4-N,7-N-dimethyl-1,10-phenanthroline-4,7-dicarboxamide
SMILESCNC(=O)c1ccnc2c1ccc1c(C(=O)NC)ccnc12
InChIInChI=1S/C16H14N4O2/c1-17-15(21)11-5-7-19-13-9(11)3-4-10-12(16(22)18-2)6-8-20-14(10)13/h3-8H,1-2H3,(H,17,21)(H,18,22)
InChIKeyNPMFEGSJEGXTAV-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.50
Rot. Bonds2

About 4-N,7-N-dimethyl-1,10-phenanthroline-4,7-dicarboxamide

4-N,7-N-dimethyl-1,10-phenanthroline-4,7-dicarboxamide (PubChem CID 12017524) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-N,7-N-dimethyl-1,10-phenanthroline-4,7-dicarboxamide.

Molecular Properties

Compound Name4-N,7-N-dimethyl-1,10-phenanthroline-4,7-dicarboxamide
PubChem CID12017524
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name4-N,7-N-dimethyl-1,10-phenanthroline-4,7-dicarboxamide
SMILESCNC(=O)c1ccnc2c1ccc1c(C(=O)NC)ccnc12
InChIInChI=1S/C16H14N4O2/c1-17-15(21)11-5-7-19-13-9(11)3-4-10-12(16(22)18-2)6-8-20-14(10)13/h3-8H,1-2H3,(H,17,21)(H,18,22)
InChIKeyNPMFEGSJEGXTAV-UHFFFAOYSA-N
XLogP1.50
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.50
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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Related Compounds

6-bromo-8-fluoro-N-methylquinoline-4-carboxamide
CID 164570300
8-(3-aminoprop-1-en-2-yl)-N-methylquinoline-4-carboxamide;ethane;methane
CID 144832127
4-N-butyl-7-N-propyl-1,10-phenanthroline-4,7-dicarboxamide
CID 18719623
(7-benzoyl-1,10-phenanthrolin-4-yl)-phenylmethanone
CID 175025470
4-amino-N-(1,10-phenanthrolin-5-yl)butanamide;4-N-(3-aminopropyl)-7-N-methyl-1,10-phenanthroline-4,7-dicarboxamide
CID 162227256
methyl 1,10-phenanthroline-4-carboxylate
CID 20679670
N-methylpyrrolo[2,3-b]pyridin-1-ide-3-carboxamide;yttrium
CID 58011342
8-fluoro-N-methyl-2-prop-1-en-2-ylquinoline-5-carboxamide
CID 126544057
N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
CID 58243821
N-methyl-6-[(2-methyl-4-pyridinyl)methyl]naphthalene-1-carboxamide
CID 155200197
4-(methylcarbamoyl)pyridine-3-carboxylic acid
CID 130493888
tris(3-hydroxy-N-methylpyridine-4-carboxamide);iron
CID 163419095

Frequently Asked Questions

What is the IUPAC name of 4-N,7-N-dimethyl-1,10-phenanthroline-4,7-dicarboxamide?
The IUPAC name of 4-N,7-N-dimethyl-1,10-phenanthroline-4,7-dicarboxamide (CID 12017524) is 4-N,7-N-dimethyl-1,10-phenanthroline-4,7-dicarboxamide.
What is the SMILES notation for 4-N,7-N-dimethyl-1,10-phenanthroline-4,7-dicarboxamide?
The canonical SMILES for 4-N,7-N-dimethyl-1,10-phenanthroline-4,7-dicarboxamide is CNC(=O)c1ccnc2c1ccc1c(C(=O)NC)ccnc12.
What is the InChIKey of 4-N,7-N-dimethyl-1,10-phenanthroline-4,7-dicarboxamide?
The InChIKey is NPMFEGSJEGXTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-17-15(21)11-5-7-19-13-9(11)3-4-10-12(16(22)18-2)6-8-20-14(10)13/h3-8H,1-2H3,(H,17,21)(H,18,22).
What are the key properties of 4-N,7-N-dimethyl-1,10-phenanthroline-4,7-dicarboxamide?
4-N,7-N-dimethyl-1,10-phenanthroline-4,7-dicarboxamide has a molecular weight of 294.31 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,7-N-dimethyl-1,10-phenanthroline-4,7-dicarboxamide is sourced from PubChem (CID 12017524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).