N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

C22H21F3N4 — CID 7933215

IUPACN-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESCCN(Cc1ccccc1)c1ccc(/C=N\Nc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C22H21F3N4/c1-2-29(16-18-6-4-3-5-7-18)20-11-8-17(9-12-20)14-27-28-21-13-10-19(15-26-21)22(23,24)25/h3-15H,2,16H2,1H3,(H,26,28)/b27-14-
InChIKeyZGRVQMKNVFFMLI-VYYCAZPPSA-N
MW398.43 g/mol
LogP5.57
Rot. Bonds7

About N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 7933215) has the molecular formula C22H21F3N4 and a molecular weight of 398.43 g/mol. Its IUPAC name is N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID7933215
Molecular FormulaC22H21F3N4
Molecular Weight398.43 g/mol
Exact Mass398.17
IUPAC NameN-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESCCN(Cc1ccccc1)c1ccc(/C=N\Nc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C22H21F3N4/c1-2-29(16-18-6-4-3-5-7-18)20-11-8-17(9-12-20)14-27-28-21-13-10-19(15-26-21)22(23,24)25/h3-15H,2,16H2,1H3,(H,26,28)/b27-14-
InChIKeyZGRVQMKNVFFMLI-VYYCAZPPSA-N
XLogP5.57
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.43
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil_di_alk(35)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine
CID 3937895
N,N-diethyl-4-[(E)-[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]aniline
CID 164880427
N-benzyl-4-[(benzylhydrazinylidene)methyl]-N-ethylaniline
CID 110839639
N-(pyridin-4-ylmethylideneamino)-5-(trifluoromethyl)pyridin-2-amine
CID 73428568
N-[(Z)-(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126112091
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909
N-[[4-[benzyl(ethyl)amino]phenyl]methylidene]hydroxylamine
CID 2394003
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126124508
[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]thiourea
CID 6902327
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-phenylacetamide
CID 110515251
N-[(Z)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126103627
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 110530926

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine (CID 7933215) is N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is CCN(Cc1ccccc1)c1ccc(/C=N\Nc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZGRVQMKNVFFMLI-VYYCAZPPSA-N. The full InChI is InChI=1S/C22H21F3N4/c1-2-29(16-18-6-4-3-5-7-18)20-11-8-17(9-12-20)14-27-28-21-13-10-19(15-26-21)22(23,24)25/h3-15H,2,16H2,1H3,(H,26,28)/b27-14-.
What are the key properties of N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 398.43 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 7933215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).