3-cyano-4-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)benzamide

C20H14FN3O — CID 24864105

IUPAC3-cyano-4-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)c(C#N)c2)n1
InChIInChI=1S/C20H14FN3O/c1-13-3-2-4-19(23-13)24-20(25)15-7-10-18(16(11-15)12-22)14-5-8-17(21)9-6-14/h2-11H,1H3,(H,23,24,25)
InChIKeyPQSAUBAWBUVRJW-UHFFFAOYSA-N
MW331.35 g/mol
LogP4.32
Rot. Bonds3

About 3-cyano-4-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)benzamide

3-cyano-4-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)benzamide (PubChem CID 24864105) has the molecular formula C20H14FN3O and a molecular weight of 331.35 g/mol. Its IUPAC name is 3-cyano-4-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-cyano-4-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)benzamide
PubChem CID24864105
Molecular FormulaC20H14FN3O
Molecular Weight331.35 g/mol
Exact Mass331.11
IUPAC Name3-cyano-4-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)c(C#N)c2)n1
InChIInChI=1S/C20H14FN3O/c1-13-3-2-4-19(23-13)24-20(25)15-7-10-18(16(11-15)12-22)14-5-8-17(21)9-6-14/h2-11H,1H3,(H,23,24,25)
InChIKeyPQSAUBAWBUVRJW-UHFFFAOYSA-N
XLogP4.32
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-cyano-4-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)benzamide (CID 24864105) is 3-cyano-4-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-cyano-4-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-cyano-4-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)benzamide is Cc1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)c(C#N)c2)n1.
What is the InChIKey of 3-cyano-4-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)benzamide?
The InChIKey is PQSAUBAWBUVRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O/c1-13-3-2-4-19(23-13)24-20(25)15-7-10-18(16(11-15)12-22)14-5-8-17(21)9-6-14/h2-11H,1H3,(H,23,24,25).
What are the key properties of 3-cyano-4-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)benzamide?
3-cyano-4-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)benzamide has a molecular weight of 331.35 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 24864105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).