5-cyano-2-fluoro-3-(2-pyridin-4-yl-4-pyridinyl)benzamide

C18H11FN4O — CID 155759344

IUPAC5-cyano-2-fluoro-3-(2-pyridin-4-yl-4-pyridinyl)benzamide
SMILESN#Cc1cc(C(N)=O)c(F)c(-c2ccnc(-c3ccncc3)c2)c1
InChIInChI=1S/C18H11FN4O/c19-17-14(7-11(10-20)8-15(17)18(21)24)13-3-6-23-16(9-13)12-1-4-22-5-2-12/h1-9H,(H2,21,24)
InChIKeySOWJQCSAAOYFSH-UHFFFAOYSA-N
MW318.31 g/mol
LogP2.92
Rot. Bonds3

About 5-cyano-2-fluoro-3-(2-pyridin-4-yl-4-pyridinyl)benzamide

5-cyano-2-fluoro-3-(2-pyridin-4-yl-4-pyridinyl)benzamide (PubChem CID 155759344) has the molecular formula C18H11FN4O and a molecular weight of 318.31 g/mol. Its IUPAC name is 5-cyano-2-fluoro-3-(2-pyridin-4-yl-4-pyridinyl)benzamide.

Molecular Properties

Compound Name5-cyano-2-fluoro-3-(2-pyridin-4-yl-4-pyridinyl)benzamide
PubChem CID155759344
Molecular FormulaC18H11FN4O
Molecular Weight318.31 g/mol
Exact Mass318.09
IUPAC Name5-cyano-2-fluoro-3-(2-pyridin-4-yl-4-pyridinyl)benzamide
SMILESN#Cc1cc(C(N)=O)c(F)c(-c2ccnc(-c3ccncc3)c2)c1
InChIInChI=1S/C18H11FN4O/c19-17-14(7-11(10-20)8-15(17)18(21)24)13-3-6-23-16(9-13)12-1-4-22-5-2-12/h1-9H,(H2,21,24)
InChIKeySOWJQCSAAOYFSH-UHFFFAOYSA-N
XLogP2.92
TPSA92.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyano-2-fluoro-3-(2-pyridin-4-yl-4-pyridinyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-fluoro-3-(2-pyridin-4-yl-4-pyridinyl)benzamide?
The IUPAC name of 5-cyano-2-fluoro-3-(2-pyridin-4-yl-4-pyridinyl)benzamide (CID 155759344) is 5-cyano-2-fluoro-3-(2-pyridin-4-yl-4-pyridinyl)benzamide.
What is the SMILES notation for 5-cyano-2-fluoro-3-(2-pyridin-4-yl-4-pyridinyl)benzamide?
The canonical SMILES for 5-cyano-2-fluoro-3-(2-pyridin-4-yl-4-pyridinyl)benzamide is N#Cc1cc(C(N)=O)c(F)c(-c2ccnc(-c3ccncc3)c2)c1.
What is the InChIKey of 5-cyano-2-fluoro-3-(2-pyridin-4-yl-4-pyridinyl)benzamide?
The InChIKey is SOWJQCSAAOYFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN4O/c19-17-14(7-11(10-20)8-15(17)18(21)24)13-3-6-23-16(9-13)12-1-4-22-5-2-12/h1-9H,(H2,21,24).
What are the key properties of 5-cyano-2-fluoro-3-(2-pyridin-4-yl-4-pyridinyl)benzamide?
5-cyano-2-fluoro-3-(2-pyridin-4-yl-4-pyridinyl)benzamide has a molecular weight of 318.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-fluoro-3-(2-pyridin-4-yl-4-pyridinyl)benzamide is sourced from PubChem (CID 155759344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).