4-(1-phenyl-2-pyridin-2-ylethenyl)pyridine-2,6-diamine

C18H16N4 — CID 155099404

IUPAC4-(1-phenyl-2-pyridin-2-ylethenyl)pyridine-2,6-diamine
SMILESNc1cc(C(=Cc2ccccn2)c2ccccc2)cc(N)n1
InChIInChI=1S/C18H16N4/c19-17-10-14(11-18(20)22-17)16(13-6-2-1-3-7-13)12-15-8-4-5-9-21-15/h1-12H,(H4,19,20,22)
InChIKeyXLUKHXAGAXSFDN-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.23
Rot. Bonds3

About 4-(1-phenyl-2-pyridin-2-ylethenyl)pyridine-2,6-diamine

4-(1-phenyl-2-pyridin-2-ylethenyl)pyridine-2,6-diamine (PubChem CID 155099404) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(1-phenyl-2-pyridin-2-ylethenyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name4-(1-phenyl-2-pyridin-2-ylethenyl)pyridine-2,6-diamine
PubChem CID155099404
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name4-(1-phenyl-2-pyridin-2-ylethenyl)pyridine-2,6-diamine
SMILESNc1cc(C(=Cc2ccccn2)c2ccccc2)cc(N)n1
InChIInChI=1S/C18H16N4/c19-17-10-14(11-18(20)22-17)16(13-6-2-1-3-7-13)12-15-8-4-5-9-21-15/h1-12H,(H4,19,20,22)
InChIKeyXLUKHXAGAXSFDN-UHFFFAOYSA-N
XLogP3.23
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenyl-2-pyridin-2-ylethenyl)pyridine-2,6-diamine?
The IUPAC name of 4-(1-phenyl-2-pyridin-2-ylethenyl)pyridine-2,6-diamine (CID 155099404) is 4-(1-phenyl-2-pyridin-2-ylethenyl)pyridine-2,6-diamine.
What is the SMILES notation for 4-(1-phenyl-2-pyridin-2-ylethenyl)pyridine-2,6-diamine?
The canonical SMILES for 4-(1-phenyl-2-pyridin-2-ylethenyl)pyridine-2,6-diamine is Nc1cc(C(=Cc2ccccn2)c2ccccc2)cc(N)n1.
What is the InChIKey of 4-(1-phenyl-2-pyridin-2-ylethenyl)pyridine-2,6-diamine?
The InChIKey is XLUKHXAGAXSFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c19-17-10-14(11-18(20)22-17)16(13-6-2-1-3-7-13)12-15-8-4-5-9-21-15/h1-12H,(H4,19,20,22).
What are the key properties of 4-(1-phenyl-2-pyridin-2-ylethenyl)pyridine-2,6-diamine?
4-(1-phenyl-2-pyridin-2-ylethenyl)pyridine-2,6-diamine has a molecular weight of 288.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenyl-2-pyridin-2-ylethenyl)pyridine-2,6-diamine is sourced from PubChem (CID 155099404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).