6-[2-[[2-[4-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile

C23H17F3N6 — CID 59106848

IUPAC6-[2-[[2-[4-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCNc2nc(-c3ccc(C(F)(F)F)cc3)nc3ccccc23)nc1
InChIInChI=1S/C23H17F3N6/c24-23(25,26)17-8-6-16(7-9-17)21-31-19-4-2-1-3-18(19)22(32-21)29-12-11-28-20-10-5-15(13-27)14-30-20/h1-10,14H,11-12H2,(H,28,30)(H,29,31,32)
InChIKeyUESGTSANAZSUMG-UHFFFAOYSA-N
MW434.43 g/mol
LogP5.11
Rot. Bonds6

About 6-[2-[[2-[4-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile

6-[2-[[2-[4-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile (PubChem CID 59106848) has the molecular formula C23H17F3N6 and a molecular weight of 434.43 g/mol. Its IUPAC name is 6-[2-[[2-[4-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-[[2-[4-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile
PubChem CID59106848
Molecular FormulaC23H17F3N6
Molecular Weight434.43 g/mol
Exact Mass434.15
IUPAC Name6-[2-[[2-[4-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCNc2nc(-c3ccc(C(F)(F)F)cc3)nc3ccccc23)nc1
InChIInChI=1S/C23H17F3N6/c24-23(25,26)17-8-6-16(7-9-17)21-31-19-4-2-1-3-18(19)22(32-21)29-12-11-28-20-10-5-15(13-27)14-30-20/h1-10,14H,11-12H2,(H,28,30)(H,29,31,32)
InChIKeyUESGTSANAZSUMG-UHFFFAOYSA-N
XLogP5.11
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.43
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[2-[[2-[4-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile with MolForge

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Related Compounds

(4-chlorophenyl)boronic acid;6-[2-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[(2-chloroquinazolin-4-yl)amino]ethylamino]pyridine-3-carbonitrile
CID 158296046
6-[2-[[6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl]amino]ethylamino]pyridine-3-carbonitrile
CID 42640102
1-[2-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 42809310
6-[2-[[2-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile
CID 59313101
5-[(2-pyridin-4-ylquinazolin-4-yl)amino]pentanenitrile
CID 133299899
2-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride
CID 2790095
2-phenyl-N-propylquinazolin-4-amine
CID 10244508
N-[2-[(7-chloro-2-phenylquinazolin-4-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 42809231
6-[3-(1,2-benzothiazol-3-ylamino)propylamino]pyridine-3-carbonitrile
CID 57436385
2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride
CID 2789481
2-(3-bromophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 46086055
6-[2-[[7-[3-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile
CID 25061424

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[2-[4-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-[[2-[4-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile (CID 59106848) is 6-[2-[[2-[4-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-[[2-[4-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-[[2-[4-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile is N#Cc1ccc(NCCNc2nc(-c3ccc(C(F)(F)F)cc3)nc3ccccc23)nc1.
What is the InChIKey of 6-[2-[[2-[4-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile?
The InChIKey is UESGTSANAZSUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6/c24-23(25,26)17-8-6-16(7-9-17)21-31-19-4-2-1-3-18(19)22(32-21)29-12-11-28-20-10-5-15(13-27)14-30-20/h1-10,14H,11-12H2,(H,28,30)(H,29,31,32).
What are the key properties of 6-[2-[[2-[4-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile?
6-[2-[[2-[4-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile has a molecular weight of 434.43 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[2-[4-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 59106848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).