5-cyano-2-fluoro-N-(6-pyridin-3-yl-3-pyridinyl)benzamide

C18H11FN4O — CID 138683220

IUPAC5-cyano-2-fluoro-N-(6-pyridin-3-yl-3-pyridinyl)benzamide
SMILESN#Cc1ccc(F)c(C(=O)Nc2ccc(-c3cccnc3)nc2)c1
InChIInChI=1S/C18H11FN4O/c19-16-5-3-12(9-20)8-15(16)18(24)23-14-4-6-17(22-11-14)13-2-1-7-21-10-13/h1-8,10-11H,(H,23,24)
InChIKeyUDJPLVJATJOOFA-UHFFFAOYSA-N
MW318.31 g/mol
LogP3.41
Rot. Bonds3

About 5-cyano-2-fluoro-N-(6-pyridin-3-yl-3-pyridinyl)benzamide

5-cyano-2-fluoro-N-(6-pyridin-3-yl-3-pyridinyl)benzamide (PubChem CID 138683220) has the molecular formula C18H11FN4O and a molecular weight of 318.31 g/mol. Its IUPAC name is 5-cyano-2-fluoro-N-(6-pyridin-3-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name5-cyano-2-fluoro-N-(6-pyridin-3-yl-3-pyridinyl)benzamide
PubChem CID138683220
Molecular FormulaC18H11FN4O
Molecular Weight318.31 g/mol
Exact Mass318.09
IUPAC Name5-cyano-2-fluoro-N-(6-pyridin-3-yl-3-pyridinyl)benzamide
SMILESN#Cc1ccc(F)c(C(=O)Nc2ccc(-c3cccnc3)nc2)c1
InChIInChI=1S/C18H11FN4O/c19-16-5-3-12(9-20)8-15(16)18(24)23-14-4-6-17(22-11-14)13-2-1-7-21-10-13/h1-8,10-11H,(H,23,24)
InChIKeyUDJPLVJATJOOFA-UHFFFAOYSA-N
XLogP3.41
TPSA78.67 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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-fluoro-N-(6-pyridin-3-yl-3-pyridinyl)benzamide?
The IUPAC name of 5-cyano-2-fluoro-N-(6-pyridin-3-yl-3-pyridinyl)benzamide (CID 138683220) is 5-cyano-2-fluoro-N-(6-pyridin-3-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 5-cyano-2-fluoro-N-(6-pyridin-3-yl-3-pyridinyl)benzamide?
The canonical SMILES for 5-cyano-2-fluoro-N-(6-pyridin-3-yl-3-pyridinyl)benzamide is N#Cc1ccc(F)c(C(=O)Nc2ccc(-c3cccnc3)nc2)c1.
What is the InChIKey of 5-cyano-2-fluoro-N-(6-pyridin-3-yl-3-pyridinyl)benzamide?
The InChIKey is UDJPLVJATJOOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN4O/c19-16-5-3-12(9-20)8-15(16)18(24)23-14-4-6-17(22-11-14)13-2-1-7-21-10-13/h1-8,10-11H,(H,23,24).
What are the key properties of 5-cyano-2-fluoro-N-(6-pyridin-3-yl-3-pyridinyl)benzamide?
5-cyano-2-fluoro-N-(6-pyridin-3-yl-3-pyridinyl)benzamide has a molecular weight of 318.31 g/mol, XLogP of 3.41, 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-N-(6-pyridin-3-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 138683220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).