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

C16H14FN3O — CID 54585448

IUPAC3-cyano-5-fluoro-N-(6-propyl-2-pyridinyl)benzamide
SMILESCCCc1cccc(NC(=O)c2cc(F)cc(C#N)c2)n1
InChIInChI=1S/C16H14FN3O/c1-2-4-14-5-3-6-15(19-14)20-16(21)12-7-11(10-18)8-13(17)9-12/h3,5-9H,2,4H2,1H3,(H,19,20,21)
InChIKeyUXIALOMGVLZUED-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.30
Rot. Bonds4

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

3-cyano-5-fluoro-N-(6-propyl-2-pyridinyl)benzamide (PubChem CID 54585448) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 3-cyano-5-fluoro-N-(6-propyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-cyano-5-fluoro-N-(6-propyl-2-pyridinyl)benzamide
PubChem CID54585448
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name3-cyano-5-fluoro-N-(6-propyl-2-pyridinyl)benzamide
SMILESCCCc1cccc(NC(=O)c2cc(F)cc(C#N)c2)n1
InChIInChI=1S/C16H14FN3O/c1-2-4-14-5-3-6-15(19-14)20-16(21)12-7-11(10-18)8-13(17)9-12/h3,5-9H,2,4H2,1H3,(H,19,20,21)
InChIKeyUXIALOMGVLZUED-UHFFFAOYSA-N
XLogP3.30
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.30
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-propyl-2-pyridinyl)benzamide?
The IUPAC name of 3-cyano-5-fluoro-N-(6-propyl-2-pyridinyl)benzamide (CID 54585448) is 3-cyano-5-fluoro-N-(6-propyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-cyano-5-fluoro-N-(6-propyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-cyano-5-fluoro-N-(6-propyl-2-pyridinyl)benzamide is CCCc1cccc(NC(=O)c2cc(F)cc(C#N)c2)n1.
What is the InChIKey of 3-cyano-5-fluoro-N-(6-propyl-2-pyridinyl)benzamide?
The InChIKey is UXIALOMGVLZUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-2-4-14-5-3-6-15(19-14)20-16(21)12-7-11(10-18)8-13(17)9-12/h3,5-9H,2,4H2,1H3,(H,19,20,21).
What are the key properties of 3-cyano-5-fluoro-N-(6-propyl-2-pyridinyl)benzamide?
3-cyano-5-fluoro-N-(6-propyl-2-pyridinyl)benzamide has a molecular weight of 283.31 g/mol, XLogP of 3.30, 4 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-propyl-2-pyridinyl)benzamide is sourced from PubChem (CID 54585448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).