3-[2-[2-(6-fluoro-3-pyridinyl)imidazol-1-yl]ethylideneamino]-N,N-dimethylpyridin-2-amine

C17H17FN6 — CID 142149488

IUPAC3-[2-[2-(6-fluoro-3-pyridinyl)imidazol-1-yl]ethylideneamino]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ncccc1/N=C/Cn1ccnc1-c1ccc(F)nc1
InChIInChI=1S/C17H17FN6/c1-23(2)17-14(4-3-7-20-17)19-8-10-24-11-9-21-16(24)13-5-6-15(18)22-12-13/h3-9,11-12H,10H2,1-2H3/b19-8+
InChIKeyABKFXDZKOUJLPX-UFWORHAWSA-N
MW324.36 g/mol
LogP2.95
Rot. Bonds5

About 3-[2-[2-(6-fluoro-3-pyridinyl)imidazol-1-yl]ethylideneamino]-N,N-dimethylpyridin-2-amine

3-[2-[2-(6-fluoro-3-pyridinyl)imidazol-1-yl]ethylideneamino]-N,N-dimethylpyridin-2-amine (PubChem CID 142149488) has the molecular formula C17H17FN6 and a molecular weight of 324.36 g/mol. Its IUPAC name is 3-[2-[2-(6-fluoro-3-pyridinyl)imidazol-1-yl]ethylideneamino]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-[2-[2-(6-fluoro-3-pyridinyl)imidazol-1-yl]ethylideneamino]-N,N-dimethylpyridin-2-amine
PubChem CID142149488
Molecular FormulaC17H17FN6
Molecular Weight324.36 g/mol
Exact Mass324.15
IUPAC Name3-[2-[2-(6-fluoro-3-pyridinyl)imidazol-1-yl]ethylideneamino]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ncccc1/N=C/Cn1ccnc1-c1ccc(F)nc1
InChIInChI=1S/C17H17FN6/c1-23(2)17-14(4-3-7-20-17)19-8-10-24-11-9-21-16(24)13-5-6-15(18)22-12-13/h3-9,11-12H,10H2,1-2H3/b19-8+
InChIKeyABKFXDZKOUJLPX-UFWORHAWSA-N
XLogP2.95
TPSA59.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(6-fluoro-3-pyridinyl)imidazol-1-yl]ethylideneamino]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 3-[2-[2-(6-fluoro-3-pyridinyl)imidazol-1-yl]ethylideneamino]-N,N-dimethylpyridin-2-amine (CID 142149488) is 3-[2-[2-(6-fluoro-3-pyridinyl)imidazol-1-yl]ethylideneamino]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 3-[2-[2-(6-fluoro-3-pyridinyl)imidazol-1-yl]ethylideneamino]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 3-[2-[2-(6-fluoro-3-pyridinyl)imidazol-1-yl]ethylideneamino]-N,N-dimethylpyridin-2-amine is CN(C)c1ncccc1/N=C/Cn1ccnc1-c1ccc(F)nc1.
What is the InChIKey of 3-[2-[2-(6-fluoro-3-pyridinyl)imidazol-1-yl]ethylideneamino]-N,N-dimethylpyridin-2-amine?
The InChIKey is ABKFXDZKOUJLPX-UFWORHAWSA-N. The full InChI is InChI=1S/C17H17FN6/c1-23(2)17-14(4-3-7-20-17)19-8-10-24-11-9-21-16(24)13-5-6-15(18)22-12-13/h3-9,11-12H,10H2,1-2H3/b19-8+.
What are the key properties of 3-[2-[2-(6-fluoro-3-pyridinyl)imidazol-1-yl]ethylideneamino]-N,N-dimethylpyridin-2-amine?
3-[2-[2-(6-fluoro-3-pyridinyl)imidazol-1-yl]ethylideneamino]-N,N-dimethylpyridin-2-amine has a molecular weight of 324.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(6-fluoro-3-pyridinyl)imidazol-1-yl]ethylideneamino]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 142149488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).