4-ethynyl-2-phenylpyridine-3-carboxamide

C14H10N2O — CID 87531984

IUPAC4-ethynyl-2-phenylpyridine-3-carboxamide
SMILESC#Cc1ccnc(-c2ccccc2)c1C(N)=O
InChIInChI=1S/C14H10N2O/c1-2-10-8-9-16-13(12(10)14(15)17)11-6-4-3-5-7-11/h1,3-9H,(H2,15,17)
InChIKeyRUFOEZZOQNDSJV-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.83
Rot. Bonds2

About 4-ethynyl-2-phenylpyridine-3-carboxamide

4-ethynyl-2-phenylpyridine-3-carboxamide (PubChem CID 87531984) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-ethynyl-2-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-ethynyl-2-phenylpyridine-3-carboxamide
PubChem CID87531984
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name4-ethynyl-2-phenylpyridine-3-carboxamide
SMILESC#Cc1ccnc(-c2ccccc2)c1C(N)=O
InChIInChI=1S/C14H10N2O/c1-2-10-8-9-16-13(12(10)14(15)17)11-6-4-3-5-7-11/h1,3-9H,(H2,15,17)
InChIKeyRUFOEZZOQNDSJV-UHFFFAOYSA-N
XLogP1.83
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.83
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-ethynyl-2-phenylpyridine-3-carboxamide?
The IUPAC name of 4-ethynyl-2-phenylpyridine-3-carboxamide (CID 87531984) is 4-ethynyl-2-phenylpyridine-3-carboxamide.
What is the SMILES notation for 4-ethynyl-2-phenylpyridine-3-carboxamide?
The canonical SMILES for 4-ethynyl-2-phenylpyridine-3-carboxamide is C#Cc1ccnc(-c2ccccc2)c1C(N)=O.
What is the InChIKey of 4-ethynyl-2-phenylpyridine-3-carboxamide?
The InChIKey is RUFOEZZOQNDSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c1-2-10-8-9-16-13(12(10)14(15)17)11-6-4-3-5-7-11/h1,3-9H,(H2,15,17).
What are the key properties of 4-ethynyl-2-phenylpyridine-3-carboxamide?
4-ethynyl-2-phenylpyridine-3-carboxamide has a molecular weight of 222.25 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-2-phenylpyridine-3-carboxamide is sourced from PubChem (CID 87531984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).