N-[(Z)-(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

C21H19F3N4 — CID 126106857

IUPACN-[(Z)-(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(N/N=C\c2ccc(N3CCCC3)c3ccccc23)nc1
InChIInChI=1S/C21H19F3N4/c22-21(23,24)16-8-10-20(25-14-16)27-26-13-15-7-9-19(28-11-3-4-12-28)18-6-2-1-5-17(15)18/h1-2,5-10,13-14H,3-4,11-12H2,(H,25,27)/b26-13-
InChIKeyUBQDJLMYWUMJKC-ZMFRSBBQSA-N
MW384.41 g/mol
LogP5.30
Rot. Bonds4

About N-[(Z)-(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

N-[(Z)-(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 126106857) has the molecular formula C21H19F3N4 and a molecular weight of 384.41 g/mol. Its IUPAC name is N-[(Z)-(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID126106857
Molecular FormulaC21H19F3N4
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC NameN-[(Z)-(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(N/N=C\c2ccc(N3CCCC3)c3ccccc23)nc1
InChIInChI=1S/C21H19F3N4/c22-21(23,24)16-8-10-20(25-14-16)27-26-13-15-7-9-19(28-11-3-4-12-28)18-6-2-1-5-17(15)18/h1-2,5-10,13-14H,3-4,11-12H2,(H,25,27)/b26-13-
InChIKeyUBQDJLMYWUMJKC-ZMFRSBBQSA-N
XLogP5.30
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.41
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 7933190
N-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine
CID 3937895
N-[(Z)-(2,5-dimethyl-1-naphthalen-1-ylpyrrol-3-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126110569
N-[(2,4-dimethylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 4854807
methyl 2-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoate
CID 8974838
N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 6184216
N-(pyridin-4-ylmethylideneamino)-5-(trifluoromethyl)pyridin-2-amine
CID 73428568
N-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126109789
N-[[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 2322247
N-[(Z)-(6-methyl-1,3-benzodioxol-5-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126075676
N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 6162877
N-[[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 131674302

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(Z)-(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine (CID 126106857) is N-[(Z)-(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(Z)-(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(Z)-(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(N/N=C\c2ccc(N3CCCC3)c3ccccc23)nc1.
What is the InChIKey of N-[(Z)-(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is UBQDJLMYWUMJKC-ZMFRSBBQSA-N. The full InChI is InChI=1S/C21H19F3N4/c22-21(23,24)16-8-10-20(25-14-16)27-26-13-15-7-9-19(28-11-3-4-12-28)18-6-2-1-5-17(15)18/h1-2,5-10,13-14H,3-4,11-12H2,(H,25,27)/b26-13-.
What are the key properties of N-[(Z)-(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
N-[(Z)-(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 384.41 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 126106857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).