3-fluoro-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide

C16H16FN3O2 — CID 644504

IUPAC3-fluoro-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)c2cccc(F)c2)cn1
InChIInChI=1S/C16H16FN3O2/c1-10(2)15(21)20-14-7-6-13(9-18-14)19-16(22)11-4-3-5-12(17)8-11/h3-10H,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyQIFRLAMDUQQWQY-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.07
Rot. Bonds4

About 3-fluoro-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide

3-fluoro-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide (PubChem CID 644504) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 3-fluoro-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide
PubChem CID644504
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name3-fluoro-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)c2cccc(F)c2)cn1
InChIInChI=1S/C16H16FN3O2/c1-10(2)15(21)20-14-7-6-13(9-18-14)19-16(22)11-4-3-5-12(17)8-11/h3-10H,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyQIFRLAMDUQQWQY-UHFFFAOYSA-N
XLogP3.07
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide?
The IUPAC name of 3-fluoro-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide (CID 644504) is 3-fluoro-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 3-fluoro-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide is CC(C)C(=O)Nc1ccc(NC(=O)c2cccc(F)c2)cn1.
What is the InChIKey of 3-fluoro-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide?
The InChIKey is QIFRLAMDUQQWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-10(2)15(21)20-14-7-6-13(9-18-14)19-16(22)11-4-3-5-12(17)8-11/h3-10H,1-2H3,(H,19,22)(H,18,20,21).
What are the key properties of 3-fluoro-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide?
3-fluoro-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide has a molecular weight of 301.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 644504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).