N-(5-acetamido-4-methyl-2-pyridinyl)-3-fluorobenzamide

C15H14FN3O2 — CID 646831

IUPACN-(5-acetamido-4-methyl-2-pyridinyl)-3-fluorobenzamide
SMILESCC(=O)Nc1cnc(NC(=O)c2cccc(F)c2)cc1C
InChIInChI=1S/C15H14FN3O2/c1-9-6-14(17-8-13(9)18-10(2)20)19-15(21)11-4-3-5-12(16)7-11/h3-8H,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyLWULNDYIOUAVLV-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.74
Rot. Bonds3

About N-(5-acetamido-4-methyl-2-pyridinyl)-3-fluorobenzamide

N-(5-acetamido-4-methyl-2-pyridinyl)-3-fluorobenzamide (PubChem CID 646831) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is N-(5-acetamido-4-methyl-2-pyridinyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(5-acetamido-4-methyl-2-pyridinyl)-3-fluorobenzamide
PubChem CID646831
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC NameN-(5-acetamido-4-methyl-2-pyridinyl)-3-fluorobenzamide
SMILESCC(=O)Nc1cnc(NC(=O)c2cccc(F)c2)cc1C
InChIInChI=1S/C15H14FN3O2/c1-9-6-14(17-8-13(9)18-10(2)20)19-15(21)11-4-3-5-12(16)7-11/h3-8H,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyLWULNDYIOUAVLV-UHFFFAOYSA-N
XLogP2.74
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-4-methyl-2-pyridinyl)-3-fluorobenzamide?
The IUPAC name of N-(5-acetamido-4-methyl-2-pyridinyl)-3-fluorobenzamide (CID 646831) is N-(5-acetamido-4-methyl-2-pyridinyl)-3-fluorobenzamide.
What is the SMILES notation for N-(5-acetamido-4-methyl-2-pyridinyl)-3-fluorobenzamide?
The canonical SMILES for N-(5-acetamido-4-methyl-2-pyridinyl)-3-fluorobenzamide is CC(=O)Nc1cnc(NC(=O)c2cccc(F)c2)cc1C.
What is the InChIKey of N-(5-acetamido-4-methyl-2-pyridinyl)-3-fluorobenzamide?
The InChIKey is LWULNDYIOUAVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-9-6-14(17-8-13(9)18-10(2)20)19-15(21)11-4-3-5-12(16)7-11/h3-8H,1-2H3,(H,18,20)(H,17,19,21).
What are the key properties of N-(5-acetamido-4-methyl-2-pyridinyl)-3-fluorobenzamide?
N-(5-acetamido-4-methyl-2-pyridinyl)-3-fluorobenzamide has a molecular weight of 287.29 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-4-methyl-2-pyridinyl)-3-fluorobenzamide is sourced from PubChem (CID 646831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).