N,N-dimethyl-5-(2-phenylethynyl)pyridin-2-amine

C15H14N2 — CID 58483730

IUPACN,N-dimethyl-5-(2-phenylethynyl)pyridin-2-amine
SMILESCN(C)c1ccc(C#Cc2ccccc2)cn1
InChIInChI=1S/C15H14N2/c1-17(2)15-11-10-14(12-16-15)9-8-13-6-4-3-5-7-13/h3-7,10-12H,1-2H3
InChIKeySXHNXEPQBZRIGI-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.55
Rot. Bonds1

About N,N-dimethyl-5-(2-phenylethynyl)pyridin-2-amine

N,N-dimethyl-5-(2-phenylethynyl)pyridin-2-amine (PubChem CID 58483730) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N,N-dimethyl-5-(2-phenylethynyl)pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-(2-phenylethynyl)pyridin-2-amine
PubChem CID58483730
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC NameN,N-dimethyl-5-(2-phenylethynyl)pyridin-2-amine
SMILESCN(C)c1ccc(C#Cc2ccccc2)cn1
InChIInChI=1S/C15H14N2/c1-17(2)15-11-10-14(12-16-15)9-8-13-6-4-3-5-7-13/h3-7,10-12H,1-2H3
InChIKeySXHNXEPQBZRIGI-UHFFFAOYSA-N
XLogP2.55
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
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 N,N-dimethyl-5-(2-phenylethynyl)pyridin-2-amine?
The IUPAC name of N,N-dimethyl-5-(2-phenylethynyl)pyridin-2-amine (CID 58483730) is N,N-dimethyl-5-(2-phenylethynyl)pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-(2-phenylethynyl)pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-5-(2-phenylethynyl)pyridin-2-amine is CN(C)c1ccc(C#Cc2ccccc2)cn1.
What is the InChIKey of N,N-dimethyl-5-(2-phenylethynyl)pyridin-2-amine?
The InChIKey is SXHNXEPQBZRIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-17(2)15-11-10-14(12-16-15)9-8-13-6-4-3-5-7-13/h3-7,10-12H,1-2H3.
What are the key properties of N,N-dimethyl-5-(2-phenylethynyl)pyridin-2-amine?
N,N-dimethyl-5-(2-phenylethynyl)pyridin-2-amine has a molecular weight of 222.29 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(2-phenylethynyl)pyridin-2-amine is sourced from PubChem (CID 58483730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).