2-phenyl-2-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]ethanamine

C20H19N3 — CID 23646979

IUPAC2-phenyl-2-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]ethanamine
SMILESNCC(c1ccccc1)c1cncc(/C=C/c2ccncc2)c1
InChIInChI=1S/C20H19N3/c21-13-20(18-4-2-1-3-5-18)19-12-17(14-23-15-19)7-6-16-8-10-22-11-9-16/h1-12,14-15,20H,13,21H2/b7-6+
InChIKeyPSKXKMKENKURHT-VOTSOKGWSA-N
MW301.39 g/mol
LogP3.74
Rot. Bonds5

About 2-phenyl-2-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]ethanamine

2-phenyl-2-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]ethanamine (PubChem CID 23646979) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-phenyl-2-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-phenyl-2-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]ethanamine
PubChem CID23646979
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC Name2-phenyl-2-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]ethanamine
SMILESNCC(c1ccccc1)c1cncc(/C=C/c2ccncc2)c1
InChIInChI=1S/C20H19N3/c21-13-20(18-4-2-1-3-5-18)19-12-17(14-23-15-19)7-6-16-8-10-22-11-9-16/h1-12,14-15,20H,13,21H2/b7-6+
InChIKeyPSKXKMKENKURHT-VOTSOKGWSA-N
XLogP3.74
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]ethanamine?
The IUPAC name of 2-phenyl-2-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]ethanamine (CID 23646979) is 2-phenyl-2-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-phenyl-2-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]ethanamine?
The canonical SMILES for 2-phenyl-2-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]ethanamine is NCC(c1ccccc1)c1cncc(/C=C/c2ccncc2)c1.
What is the InChIKey of 2-phenyl-2-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]ethanamine?
The InChIKey is PSKXKMKENKURHT-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H19N3/c21-13-20(18-4-2-1-3-5-18)19-12-17(14-23-15-19)7-6-16-8-10-22-11-9-16/h1-12,14-15,20H,13,21H2/b7-6+.
What are the key properties of 2-phenyl-2-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]ethanamine?
2-phenyl-2-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]ethanamine has a molecular weight of 301.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]ethanamine is sourced from PubChem (CID 23646979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).