N-[2-(2-pyridin-3-ylethynyl)phenyl]-N-(quinolin-2-ylmethyl)acetamide

C25H19N3O — CID 175843332

IUPACN-[2-(2-pyridin-3-ylethynyl)phenyl]-N-(quinolin-2-ylmethyl)acetamide
SMILESCC(=O)N(Cc1ccc2ccccc2n1)c1ccccc1C#Cc1cccnc1
InChIInChI=1S/C25H19N3O/c1-19(29)28(18-23-15-14-21-8-2-4-10-24(21)27-23)25-11-5-3-9-22(25)13-12-20-7-6-16-26-17-20/h2-11,14-17H,18H2,1H3
InChIKeyGVOPCIDWMBZQHN-UHFFFAOYSA-N
MW377.45 g/mol
LogP4.58
Rot. Bonds3

About N-[2-(2-pyridin-3-ylethynyl)phenyl]-N-(quinolin-2-ylmethyl)acetamide

N-[2-(2-pyridin-3-ylethynyl)phenyl]-N-(quinolin-2-ylmethyl)acetamide (PubChem CID 175843332) has the molecular formula C25H19N3O and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[2-(2-pyridin-3-ylethynyl)phenyl]-N-(quinolin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-pyridin-3-ylethynyl)phenyl]-N-(quinolin-2-ylmethyl)acetamide
PubChem CID175843332
Molecular FormulaC25H19N3O
Molecular Weight377.45 g/mol
Exact Mass377.15
IUPAC NameN-[2-(2-pyridin-3-ylethynyl)phenyl]-N-(quinolin-2-ylmethyl)acetamide
SMILESCC(=O)N(Cc1ccc2ccccc2n1)c1ccccc1C#Cc1cccnc1
InChIInChI=1S/C25H19N3O/c1-19(29)28(18-23-15-14-21-8-2-4-10-24(21)27-23)25-11-5-3-9-22(25)13-12-20-7-6-16-26-17-20/h2-11,14-17H,18H2,1H3
InChIKeyGVOPCIDWMBZQHN-UHFFFAOYSA-N
XLogP4.58
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-(2-pyridin-3-ylethynyl)phenyl]-N-(quinolin-2-ylmethyl)acetamide?
The IUPAC name of N-[2-(2-pyridin-3-ylethynyl)phenyl]-N-(quinolin-2-ylmethyl)acetamide (CID 175843332) is N-[2-(2-pyridin-3-ylethynyl)phenyl]-N-(quinolin-2-ylmethyl)acetamide.
What is the SMILES notation for N-[2-(2-pyridin-3-ylethynyl)phenyl]-N-(quinolin-2-ylmethyl)acetamide?
The canonical SMILES for N-[2-(2-pyridin-3-ylethynyl)phenyl]-N-(quinolin-2-ylmethyl)acetamide is CC(=O)N(Cc1ccc2ccccc2n1)c1ccccc1C#Cc1cccnc1.
What is the InChIKey of N-[2-(2-pyridin-3-ylethynyl)phenyl]-N-(quinolin-2-ylmethyl)acetamide?
The InChIKey is GVOPCIDWMBZQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O/c1-19(29)28(18-23-15-14-21-8-2-4-10-24(21)27-23)25-11-5-3-9-22(25)13-12-20-7-6-16-26-17-20/h2-11,14-17H,18H2,1H3.
What are the key properties of N-[2-(2-pyridin-3-ylethynyl)phenyl]-N-(quinolin-2-ylmethyl)acetamide?
N-[2-(2-pyridin-3-ylethynyl)phenyl]-N-(quinolin-2-ylmethyl)acetamide has a molecular weight of 377.45 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyridin-3-ylethynyl)phenyl]-N-(quinolin-2-ylmethyl)acetamide is sourced from PubChem (CID 175843332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).