N-[1-(6-fluoro-2-pyridinyl)pent-1-enyl]-1,4-dimethylpyridin-2-imine

C17H20FN3 — CID 123331839

IUPACN-[1-(6-fluoro-2-pyridinyl)pent-1-enyl]-1,4-dimethylpyridin-2-imine
SMILESCCCC=C(/N=c1\cc(C)ccn1C)c1cccc(F)n1
InChIInChI=1S/C17H20FN3/c1-4-5-7-15(14-8-6-9-16(18)19-14)20-17-12-13(2)10-11-21(17)3/h6-12H,4-5H2,1-3H3/b15-7?,20-17+
InChIKeyXDVQXTYUVSKGRP-RNOBODAZSA-N
MW285.37 g/mol
LogP3.61
Rot. Bonds4

About N-[1-(6-fluoro-2-pyridinyl)pent-1-enyl]-1,4-dimethylpyridin-2-imine

N-[1-(6-fluoro-2-pyridinyl)pent-1-enyl]-1,4-dimethylpyridin-2-imine (PubChem CID 123331839) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[1-(6-fluoro-2-pyridinyl)pent-1-enyl]-1,4-dimethylpyridin-2-imine.

Molecular Properties

Compound NameN-[1-(6-fluoro-2-pyridinyl)pent-1-enyl]-1,4-dimethylpyridin-2-imine
PubChem CID123331839
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC NameN-[1-(6-fluoro-2-pyridinyl)pent-1-enyl]-1,4-dimethylpyridin-2-imine
SMILESCCCC=C(/N=c1\cc(C)ccn1C)c1cccc(F)n1
InChIInChI=1S/C17H20FN3/c1-4-5-7-15(14-8-6-9-16(18)19-14)20-17-12-13(2)10-11-21(17)3/h6-12H,4-5H2,1-3H3/b15-7?,20-17+
InChIKeyXDVQXTYUVSKGRP-RNOBODAZSA-N
XLogP3.61
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-fluoro-2-pyridinyl)pent-1-enyl]-1,4-dimethylpyridin-2-imine?
The IUPAC name of N-[1-(6-fluoro-2-pyridinyl)pent-1-enyl]-1,4-dimethylpyridin-2-imine (CID 123331839) is N-[1-(6-fluoro-2-pyridinyl)pent-1-enyl]-1,4-dimethylpyridin-2-imine.
What is the SMILES notation for N-[1-(6-fluoro-2-pyridinyl)pent-1-enyl]-1,4-dimethylpyridin-2-imine?
The canonical SMILES for N-[1-(6-fluoro-2-pyridinyl)pent-1-enyl]-1,4-dimethylpyridin-2-imine is CCCC=C(/N=c1\cc(C)ccn1C)c1cccc(F)n1.
What is the InChIKey of N-[1-(6-fluoro-2-pyridinyl)pent-1-enyl]-1,4-dimethylpyridin-2-imine?
The InChIKey is XDVQXTYUVSKGRP-RNOBODAZSA-N. The full InChI is InChI=1S/C17H20FN3/c1-4-5-7-15(14-8-6-9-16(18)19-14)20-17-12-13(2)10-11-21(17)3/h6-12H,4-5H2,1-3H3/b15-7?,20-17+.
What are the key properties of N-[1-(6-fluoro-2-pyridinyl)pent-1-enyl]-1,4-dimethylpyridin-2-imine?
N-[1-(6-fluoro-2-pyridinyl)pent-1-enyl]-1,4-dimethylpyridin-2-imine has a molecular weight of 285.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-fluoro-2-pyridinyl)pent-1-enyl]-1,4-dimethylpyridin-2-imine is sourced from PubChem (CID 123331839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).