1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine

C20H18N4 — CID 58985480

IUPAC1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine
SMILESC=C(N)c1ccc(-c2ccc(-c3ccc(C(=C)N)nc3)cc2)cn1
InChIInChI=1S/C20H18N4/c1-13(21)19-9-7-17(11-23-19)15-3-5-16(6-4-15)18-8-10-20(14(2)22)24-12-18/h3-12H,1-2,21-22H2
InChIKeyAJNVWLJZQKSXMX-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.67
Rot. Bonds4

About 1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine

1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine (PubChem CID 58985480) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine.

Molecular Properties

Compound Name1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine
PubChem CID58985480
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine
SMILESC=C(N)c1ccc(-c2ccc(-c3ccc(C(=C)N)nc3)cc2)cn1
InChIInChI=1S/C20H18N4/c1-13(21)19-9-7-17(11-23-19)15-3-5-16(6-4-15)18-8-10-20(14(2)22)24-12-18/h3-12H,1-2,21-22H2
InChIKeyAJNVWLJZQKSXMX-UHFFFAOYSA-N
XLogP3.67
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine?
The IUPAC name of 1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine (CID 58985480) is 1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine.
What is the SMILES notation for 1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine?
The canonical SMILES for 1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine is C=C(N)c1ccc(-c2ccc(-c3ccc(C(=C)N)nc3)cc2)cn1.
What is the InChIKey of 1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine?
The InChIKey is AJNVWLJZQKSXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-13(21)19-9-7-17(11-23-19)15-3-5-16(6-4-15)18-8-10-20(14(2)22)24-12-18/h3-12H,1-2,21-22H2.
What are the key properties of 1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine?
1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine has a molecular weight of 314.39 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine is sourced from PubChem (CID 58985480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).