4-(4-phenylbuta-1,3-diynyl)pyridin-2-amine

C15H10N2 — CID 171352731

IUPAC4-(4-phenylbuta-1,3-diynyl)pyridin-2-amine
SMILESNc1cc(C#CC#Cc2ccccc2)ccn1
InChIInChI=1S/C15H10N2/c16-15-12-14(10-11-17-15)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,10-12H,(H2,16,17)
InChIKeyDHUHGSJWMPKICB-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.07
Rot. Bonds

About 4-(4-phenylbuta-1,3-diynyl)pyridin-2-amine

4-(4-phenylbuta-1,3-diynyl)pyridin-2-amine (PubChem CID 171352731) has the molecular formula C15H10N2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(4-phenylbuta-1,3-diynyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(4-phenylbuta-1,3-diynyl)pyridin-2-amine
PubChem CID171352731
Molecular FormulaC15H10N2
Molecular Weight218.26 g/mol
Exact Mass218.08
IUPAC Name4-(4-phenylbuta-1,3-diynyl)pyridin-2-amine
SMILESNc1cc(C#CC#Cc2ccccc2)ccn1
InChIInChI=1S/C15H10N2/c16-15-12-14(10-11-17-15)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,10-12H,(H2,16,17)
InChIKeyDHUHGSJWMPKICB-UHFFFAOYSA-N
XLogP2.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylbuta-1,3-diynyl)pyridin-2-amine?
The IUPAC name of 4-(4-phenylbuta-1,3-diynyl)pyridin-2-amine (CID 171352731) is 4-(4-phenylbuta-1,3-diynyl)pyridin-2-amine.
What is the SMILES notation for 4-(4-phenylbuta-1,3-diynyl)pyridin-2-amine?
The canonical SMILES for 4-(4-phenylbuta-1,3-diynyl)pyridin-2-amine is Nc1cc(C#CC#Cc2ccccc2)ccn1.
What is the InChIKey of 4-(4-phenylbuta-1,3-diynyl)pyridin-2-amine?
The InChIKey is DHUHGSJWMPKICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2/c16-15-12-14(10-11-17-15)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,10-12H,(H2,16,17).
What are the key properties of 4-(4-phenylbuta-1,3-diynyl)pyridin-2-amine?
4-(4-phenylbuta-1,3-diynyl)pyridin-2-amine has a molecular weight of 218.26 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylbuta-1,3-diynyl)pyridin-2-amine is sourced from PubChem (CID 171352731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).