6-N-[5-[(Z)-1-amino-3-ethenyliminoprop-1-en-2-yl]-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-2-N-[3,5-bis(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide

C28H21F6N5O2 — CID 169268186

IUPAC6-N-[5-[(Z)-1-amino-3-ethenyliminoprop-1-en-2-yl]-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-2-N-[3,5-bis(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
SMILESC=C/N=C/C(=C\N)c1cccc2c1C(NC(=O)c1cccc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n1)C2
InChIInChI=1S/C28H21F6N5O2/c1-2-36-14-16(13-35)20-6-3-5-15-9-23(24(15)20)39-26(41)22-8-4-7-21(38-22)25(40)37-19-11-17(27(29,30)31)10-18(12-19)28(32,33)34/h2-8,10-14,23H,1,9,35H2,(H,37,40)(H,39,41)/b16-13+,36-14+
InChIKeyIDNYOOQSMMOYLI-HJVBSCAPSA-N
MW573.50 g/mol
LogP5.91
Rot. Bonds7

About 6-N-[5-[(Z)-1-amino-3-ethenyliminoprop-1-en-2-yl]-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-2-N-[3,5-bis(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide

6-N-[5-[(Z)-1-amino-3-ethenyliminoprop-1-en-2-yl]-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-2-N-[3,5-bis(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide (PubChem CID 169268186) has the molecular formula C28H21F6N5O2 and a molecular weight of 573.50 g/mol. Its IUPAC name is 6-N-[5-[(Z)-1-amino-3-ethenyliminoprop-1-en-2-yl]-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-2-N-[3,5-bis(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-[5-[(Z)-1-amino-3-ethenyliminoprop-1-en-2-yl]-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-2-N-[3,5-bis(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
PubChem CID169268186
Molecular FormulaC28H21F6N5O2
Molecular Weight573.50 g/mol
Exact Mass573.16
IUPAC Name6-N-[5-[(Z)-1-amino-3-ethenyliminoprop-1-en-2-yl]-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-2-N-[3,5-bis(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
SMILESC=C/N=C/C(=C\N)c1cccc2c1C(NC(=O)c1cccc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n1)C2
InChIInChI=1S/C28H21F6N5O2/c1-2-36-14-16(13-35)20-6-3-5-15-9-23(24(15)20)39-26(41)22-8-4-7-21(38-22)25(40)37-19-11-17(27(29,30)31)10-18(12-19)28(32,33)34/h2-8,10-14,23H,1,9,35H2,(H,37,40)(H,39,41)/b16-13+,36-14+
InChIKeyIDNYOOQSMMOYLI-HJVBSCAPSA-N
XLogP5.91
TPSA109.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.50
LogP ≤ 55.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-N-[5-[(Z)-1-amino-3-ethenyliminoprop-1-en-2-yl]-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-2-N-[3,5-bis(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide with MolForge

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Related Compounds

6-N-cyclopropyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093945
6-N-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;fluoromethane
CID 169268099
6-N-cyclohexyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109095374
2-N-[3,5-bis(trifluoromethyl)phenyl]-6-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyridine-2,6-dicarboxamide
CID 122364413
6-amino-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 62238899
2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 85472840
6-N-[3,5-bis(trifluoromethyl)phenyl]-2-N-(2-pyrimidin-5-ylphenyl)pyridine-2,6-dicarboxamide
CID 169268201
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 57459273
6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093750
N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide
CID 134094337
N-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
CID 133197655
6-(4-methylpiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109095520

Frequently Asked Questions

What is the IUPAC name of 6-N-[5-[(Z)-1-amino-3-ethenyliminoprop-1-en-2-yl]-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-2-N-[3,5-bis(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-[5-[(Z)-1-amino-3-ethenyliminoprop-1-en-2-yl]-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-2-N-[3,5-bis(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide (CID 169268186) is 6-N-[5-[(Z)-1-amino-3-ethenyliminoprop-1-en-2-yl]-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-2-N-[3,5-bis(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-[5-[(Z)-1-amino-3-ethenyliminoprop-1-en-2-yl]-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-2-N-[3,5-bis(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-[5-[(Z)-1-amino-3-ethenyliminoprop-1-en-2-yl]-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-2-N-[3,5-bis(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide is C=C/N=C/C(=C\N)c1cccc2c1C(NC(=O)c1cccc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n1)C2.
What is the InChIKey of 6-N-[5-[(Z)-1-amino-3-ethenyliminoprop-1-en-2-yl]-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-2-N-[3,5-bis(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide?
The InChIKey is IDNYOOQSMMOYLI-HJVBSCAPSA-N. The full InChI is InChI=1S/C28H21F6N5O2/c1-2-36-14-16(13-35)20-6-3-5-15-9-23(24(15)20)39-26(41)22-8-4-7-21(38-22)25(40)37-19-11-17(27(29,30)31)10-18(12-19)28(32,33)34/h2-8,10-14,23H,1,9,35H2,(H,37,40)(H,39,41)/b16-13+,36-14+.
What are the key properties of 6-N-[5-[(Z)-1-amino-3-ethenyliminoprop-1-en-2-yl]-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-2-N-[3,5-bis(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide?
6-N-[5-[(Z)-1-amino-3-ethenyliminoprop-1-en-2-yl]-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-2-N-[3,5-bis(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide has a molecular weight of 573.50 g/mol, XLogP of 5.91, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[5-[(Z)-1-amino-3-ethenyliminoprop-1-en-2-yl]-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-2-N-[3,5-bis(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 169268186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).