N-(5-cyano-2-pyridinyl)-2-(4-fluorophenyl)-N-methylacetamide

C15H12FN3O — CID 115268063

IUPACN-(5-cyano-2-pyridinyl)-2-(4-fluorophenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1ccc(F)cc1)c1ccc(C#N)cn1
InChIInChI=1S/C15H12FN3O/c1-19(14-7-4-12(9-17)10-18-14)15(20)8-11-2-5-13(16)6-3-11/h2-7,10H,8H2,1H3
InChIKeyTVKIFIHMPQTFLK-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.30
Rot. Bonds3

About N-(5-cyano-2-pyridinyl)-2-(4-fluorophenyl)-N-methylacetamide

N-(5-cyano-2-pyridinyl)-2-(4-fluorophenyl)-N-methylacetamide (PubChem CID 115268063) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-2-(4-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-2-(4-fluorophenyl)-N-methylacetamide
PubChem CID115268063
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC NameN-(5-cyano-2-pyridinyl)-2-(4-fluorophenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1ccc(F)cc1)c1ccc(C#N)cn1
InChIInChI=1S/C15H12FN3O/c1-19(14-7-4-12(9-17)10-18-14)15(20)8-11-2-5-13(16)6-3-11/h2-7,10H,8H2,1H3
InChIKeyTVKIFIHMPQTFLK-UHFFFAOYSA-N
XLogP2.30
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-2-(4-fluorophenyl)-N-methylacetamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-2-(4-fluorophenyl)-N-methylacetamide (CID 115268063) is N-(5-cyano-2-pyridinyl)-2-(4-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-2-(4-fluorophenyl)-N-methylacetamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-2-(4-fluorophenyl)-N-methylacetamide is CN(C(=O)Cc1ccc(F)cc1)c1ccc(C#N)cn1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-2-(4-fluorophenyl)-N-methylacetamide?
The InChIKey is TVKIFIHMPQTFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-19(14-7-4-12(9-17)10-18-14)15(20)8-11-2-5-13(16)6-3-11/h2-7,10H,8H2,1H3.
What are the key properties of N-(5-cyano-2-pyridinyl)-2-(4-fluorophenyl)-N-methylacetamide?
N-(5-cyano-2-pyridinyl)-2-(4-fluorophenyl)-N-methylacetamide has a molecular weight of 269.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-2-(4-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 115268063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).