N-[5-(2-phenylethynyl)-2-pyridinyl]butanamide

C17H16N2O — CID 71548245

IUPACN-[5-(2-phenylethynyl)-2-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(C#Cc2ccccc2)cn1
InChIInChI=1S/C17H16N2O/c1-2-6-17(20)19-16-12-11-15(13-18-16)10-9-14-7-4-3-5-8-14/h3-5,7-8,11-13H,2,6H2,1H3,(H,18,19,20)
InChIKeyICIZAOBOELJTEG-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.22
Rot. Bonds3

About N-[5-(2-phenylethynyl)-2-pyridinyl]butanamide

N-[5-(2-phenylethynyl)-2-pyridinyl]butanamide (PubChem CID 71548245) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[5-(2-phenylethynyl)-2-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[5-(2-phenylethynyl)-2-pyridinyl]butanamide
PubChem CID71548245
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC NameN-[5-(2-phenylethynyl)-2-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(C#Cc2ccccc2)cn1
InChIInChI=1S/C17H16N2O/c1-2-6-17(20)19-16-12-11-15(13-18-16)10-9-14-7-4-3-5-8-14/h3-5,7-8,11-13H,2,6H2,1H3,(H,18,19,20)
InChIKeyICIZAOBOELJTEG-UHFFFAOYSA-N
XLogP3.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.22
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 N-[5-(2-phenylethynyl)-2-pyridinyl]butanamide?
The IUPAC name of N-[5-(2-phenylethynyl)-2-pyridinyl]butanamide (CID 71548245) is N-[5-(2-phenylethynyl)-2-pyridinyl]butanamide.
What is the SMILES notation for N-[5-(2-phenylethynyl)-2-pyridinyl]butanamide?
The canonical SMILES for N-[5-(2-phenylethynyl)-2-pyridinyl]butanamide is CCCC(=O)Nc1ccc(C#Cc2ccccc2)cn1.
What is the InChIKey of N-[5-(2-phenylethynyl)-2-pyridinyl]butanamide?
The InChIKey is ICIZAOBOELJTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-2-6-17(20)19-16-12-11-15(13-18-16)10-9-14-7-4-3-5-8-14/h3-5,7-8,11-13H,2,6H2,1H3,(H,18,19,20).
What are the key properties of N-[5-(2-phenylethynyl)-2-pyridinyl]butanamide?
N-[5-(2-phenylethynyl)-2-pyridinyl]butanamide has a molecular weight of 264.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-phenylethynyl)-2-pyridinyl]butanamide is sourced from PubChem (CID 71548245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).