N-(6-butyl-2-pyridinyl)-3-cyano-5-fluorobenzamide

C17H16FN3O — CID 54585449

IUPACN-(6-butyl-2-pyridinyl)-3-cyano-5-fluorobenzamide
SMILESCCCCc1cccc(NC(=O)c2cc(F)cc(C#N)c2)n1
InChIInChI=1S/C17H16FN3O/c1-2-3-5-15-6-4-7-16(20-15)21-17(22)13-8-12(11-19)9-14(18)10-13/h4,6-10H,2-3,5H2,1H3,(H,20,21,22)
InChIKeyTUWKJYXUJISFEE-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.69
Rot. Bonds5

About N-(6-butyl-2-pyridinyl)-3-cyano-5-fluorobenzamide

N-(6-butyl-2-pyridinyl)-3-cyano-5-fluorobenzamide (PubChem CID 54585449) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is N-(6-butyl-2-pyridinyl)-3-cyano-5-fluorobenzamide.

Molecular Properties

Compound NameN-(6-butyl-2-pyridinyl)-3-cyano-5-fluorobenzamide
PubChem CID54585449
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC NameN-(6-butyl-2-pyridinyl)-3-cyano-5-fluorobenzamide
SMILESCCCCc1cccc(NC(=O)c2cc(F)cc(C#N)c2)n1
InChIInChI=1S/C17H16FN3O/c1-2-3-5-15-6-4-7-16(20-15)21-17(22)13-8-12(11-19)9-14(18)10-13/h4,6-10H,2-3,5H2,1H3,(H,20,21,22)
InChIKeyTUWKJYXUJISFEE-UHFFFAOYSA-N
XLogP3.69
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-butyl-2-pyridinyl)-3-cyano-5-fluorobenzamide?
The IUPAC name of N-(6-butyl-2-pyridinyl)-3-cyano-5-fluorobenzamide (CID 54585449) is N-(6-butyl-2-pyridinyl)-3-cyano-5-fluorobenzamide.
What is the SMILES notation for N-(6-butyl-2-pyridinyl)-3-cyano-5-fluorobenzamide?
The canonical SMILES for N-(6-butyl-2-pyridinyl)-3-cyano-5-fluorobenzamide is CCCCc1cccc(NC(=O)c2cc(F)cc(C#N)c2)n1.
What is the InChIKey of N-(6-butyl-2-pyridinyl)-3-cyano-5-fluorobenzamide?
The InChIKey is TUWKJYXUJISFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-2-3-5-15-6-4-7-16(20-15)21-17(22)13-8-12(11-19)9-14(18)10-13/h4,6-10H,2-3,5H2,1H3,(H,20,21,22).
What are the key properties of N-(6-butyl-2-pyridinyl)-3-cyano-5-fluorobenzamide?
N-(6-butyl-2-pyridinyl)-3-cyano-5-fluorobenzamide has a molecular weight of 297.33 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-butyl-2-pyridinyl)-3-cyano-5-fluorobenzamide is sourced from PubChem (CID 54585449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).