5-phenyl-3-[(E)-2-pyridin-3-ylethenyl]pyridin-2-amine

C18H15N3 — CID 44528951

IUPAC5-phenyl-3-[(E)-2-pyridin-3-ylethenyl]pyridin-2-amine
SMILESNc1ncc(-c2ccccc2)cc1/C=C/c1cccnc1
InChIInChI=1S/C18H15N3/c19-18-16(9-8-14-5-4-10-20-12-14)11-17(13-21-18)15-6-2-1-3-7-15/h1-13H,(H2,19,21)/b9-8+
InChIKeyBFSNPYSUDQBJBM-CMDGGOBGSA-N
MW273.34 g/mol
LogP3.90
Rot. Bonds3

About 5-phenyl-3-[(E)-2-pyridin-3-ylethenyl]pyridin-2-amine

5-phenyl-3-[(E)-2-pyridin-3-ylethenyl]pyridin-2-amine (PubChem CID 44528951) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-phenyl-3-[(E)-2-pyridin-3-ylethenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-phenyl-3-[(E)-2-pyridin-3-ylethenyl]pyridin-2-amine
PubChem CID44528951
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name5-phenyl-3-[(E)-2-pyridin-3-ylethenyl]pyridin-2-amine
SMILESNc1ncc(-c2ccccc2)cc1/C=C/c1cccnc1
InChIInChI=1S/C18H15N3/c19-18-16(9-8-14-5-4-10-20-12-14)11-17(13-21-18)15-6-2-1-3-7-15/h1-13H,(H2,19,21)/b9-8+
InChIKeyBFSNPYSUDQBJBM-CMDGGOBGSA-N
XLogP3.90
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[(E)-2-pyridin-3-ylethenyl]pyridin-2-amine?
The IUPAC name of 5-phenyl-3-[(E)-2-pyridin-3-ylethenyl]pyridin-2-amine (CID 44528951) is 5-phenyl-3-[(E)-2-pyridin-3-ylethenyl]pyridin-2-amine.
What is the SMILES notation for 5-phenyl-3-[(E)-2-pyridin-3-ylethenyl]pyridin-2-amine?
The canonical SMILES for 5-phenyl-3-[(E)-2-pyridin-3-ylethenyl]pyridin-2-amine is Nc1ncc(-c2ccccc2)cc1/C=C/c1cccnc1.
What is the InChIKey of 5-phenyl-3-[(E)-2-pyridin-3-ylethenyl]pyridin-2-amine?
The InChIKey is BFSNPYSUDQBJBM-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H15N3/c19-18-16(9-8-14-5-4-10-20-12-14)11-17(13-21-18)15-6-2-1-3-7-15/h1-13H,(H2,19,21)/b9-8+.
What are the key properties of 5-phenyl-3-[(E)-2-pyridin-3-ylethenyl]pyridin-2-amine?
5-phenyl-3-[(E)-2-pyridin-3-ylethenyl]pyridin-2-amine has a molecular weight of 273.34 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[(E)-2-pyridin-3-ylethenyl]pyridin-2-amine is sourced from PubChem (CID 44528951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).