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

C14H10FN3O — CID 24965066

IUPAC3-cyano-5-fluoro-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2cc(F)cc(C#N)c2)n1
InChIInChI=1S/C14H10FN3O/c1-9-3-2-4-13(17-9)18-14(19)11-5-10(8-16)6-12(15)7-11/h2-7H,1H3,(H,17,18,19)
InChIKeyQMYLVINSXJQURM-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.65
Rot. Bonds2

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

3-cyano-5-fluoro-N-(6-methyl-2-pyridinyl)benzamide (PubChem CID 24965066) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 3-cyano-5-fluoro-N-(6-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-cyano-5-fluoro-N-(6-methyl-2-pyridinyl)benzamide
PubChem CID24965066
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name3-cyano-5-fluoro-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2cc(F)cc(C#N)c2)n1
InChIInChI=1S/C14H10FN3O/c1-9-3-2-4-13(17-9)18-14(19)11-5-10(8-16)6-12(15)7-11/h2-7H,1H3,(H,17,18,19)
InChIKeyQMYLVINSXJQURM-UHFFFAOYSA-N
XLogP2.65
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-5-fluoro-N-(6-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-cyano-5-fluoro-N-(6-methyl-2-pyridinyl)benzamide (CID 24965066) is 3-cyano-5-fluoro-N-(6-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-cyano-5-fluoro-N-(6-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-cyano-5-fluoro-N-(6-methyl-2-pyridinyl)benzamide is Cc1cccc(NC(=O)c2cc(F)cc(C#N)c2)n1.
What is the InChIKey of 3-cyano-5-fluoro-N-(6-methyl-2-pyridinyl)benzamide?
The InChIKey is QMYLVINSXJQURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c1-9-3-2-4-13(17-9)18-14(19)11-5-10(8-16)6-12(15)7-11/h2-7H,1H3,(H,17,18,19).
What are the key properties of 3-cyano-5-fluoro-N-(6-methyl-2-pyridinyl)benzamide?
3-cyano-5-fluoro-N-(6-methyl-2-pyridinyl)benzamide has a molecular weight of 255.25 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-5-fluoro-N-(6-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 24965066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).