potassium N-[4-fluoro-3-[1-[2-[(3-methylcyclopent-2-en-1-ylidene)amino]ethenylamino]ethyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C23H20F4KN4O- — CID 155750661

IUPACpotassium N-[4-fluoro-3-[1-[2-[(3-methylcyclopent-2-en-1-ylidene)amino]ethenylamino]ethyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1=C/C(=N/C=[C-]/NC(C)c2cc(NC(=O)c3ccc(C(F)(F)F)nc3)ccc2F)[CH-]C1.[K+]
InChIInChI=1S/C23H20F4N4O.K/c1-14-3-5-17(11-14)29-10-9-28-15(2)19-12-18(6-7-20(19)24)31-22(32)16-4-8-21(30-13-16)23(25,26)27;/h4-8,10-13,15,28H,3H2,1-2H3,(H,31,32);/q-2;+1/b29-17+;
InChIKeyMGZVHXKHEKGOAY-WDCVSKPTSA-N
MW483.53 g/mol
LogP2.42
Rot. Bonds6

About potassium N-[4-fluoro-3-[1-[2-[(3-methylcyclopent-2-en-1-ylidene)amino]ethenylamino]ethyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

potassium N-[4-fluoro-3-[1-[2-[(3-methylcyclopent-2-en-1-ylidene)amino]ethenylamino]ethyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 155750661) has the molecular formula C23H20F4KN4O- and a molecular weight of 483.53 g/mol. Its IUPAC name is potassium N-[4-fluoro-3-[1-[2-[(3-methylcyclopent-2-en-1-ylidene)amino]ethenylamino]ethyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Namepotassium N-[4-fluoro-3-[1-[2-[(3-methylcyclopent-2-en-1-ylidene)amino]ethenylamino]ethyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID155750661
Molecular FormulaC23H20F4KN4O-
Molecular Weight483.53 g/mol
Exact Mass483.12
IUPAC Namepotassium N-[4-fluoro-3-[1-[2-[(3-methylcyclopent-2-en-1-ylidene)amino]ethenylamino]ethyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1=C/C(=N/C=[C-]/NC(C)c2cc(NC(=O)c3ccc(C(F)(F)F)nc3)ccc2F)[CH-]C1.[K+]
InChIInChI=1S/C23H20F4N4O.K/c1-14-3-5-17(11-14)29-10-9-28-15(2)19-12-18(6-7-20(19)24)31-22(32)16-4-8-21(30-13-16)23(25,26)27;/h4-8,10-13,15,28H,3H2,1-2H3,(H,31,32);/q-2;+1/b29-17+;
InChIKeyMGZVHXKHEKGOAY-WDCVSKPTSA-N
XLogP2.42
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium N-[4-fluoro-3-[1-[2-[(3-methylcyclopent-2-en-1-ylidene)amino]ethenylamino]ethyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of potassium N-[4-fluoro-3-[1-[2-[(3-methylcyclopent-2-en-1-ylidene)amino]ethenylamino]ethyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 155750661) is potassium N-[4-fluoro-3-[1-[2-[(3-methylcyclopent-2-en-1-ylidene)amino]ethenylamino]ethyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for potassium N-[4-fluoro-3-[1-[2-[(3-methylcyclopent-2-en-1-ylidene)amino]ethenylamino]ethyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for potassium N-[4-fluoro-3-[1-[2-[(3-methylcyclopent-2-en-1-ylidene)amino]ethenylamino]ethyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is CC1=C/C(=N/C=[C-]/NC(C)c2cc(NC(=O)c3ccc(C(F)(F)F)nc3)ccc2F)[CH-]C1.[K+].
What is the InChIKey of potassium N-[4-fluoro-3-[1-[2-[(3-methylcyclopent-2-en-1-ylidene)amino]ethenylamino]ethyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is MGZVHXKHEKGOAY-WDCVSKPTSA-N. The full InChI is InChI=1S/C23H20F4N4O.K/c1-14-3-5-17(11-14)29-10-9-28-15(2)19-12-18(6-7-20(19)24)31-22(32)16-4-8-21(30-13-16)23(25,26)27;/h4-8,10-13,15,28H,3H2,1-2H3,(H,31,32);/q-2;+1/b29-17+;.
What are the key properties of potassium N-[4-fluoro-3-[1-[2-[(3-methylcyclopent-2-en-1-ylidene)amino]ethenylamino]ethyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
potassium N-[4-fluoro-3-[1-[2-[(3-methylcyclopent-2-en-1-ylidene)amino]ethenylamino]ethyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-[4-fluoro-3-[1-[2-[(3-methylcyclopent-2-en-1-ylidene)amino]ethenylamino]ethyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 155750661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).