3-fluoro-N-[4-methyl-5-(propanoylamino)-2-pyridinyl]benzamide

C16H16FN3O2 — CID 644584

IUPAC3-fluoro-N-[4-methyl-5-(propanoylamino)-2-pyridinyl]benzamide
SMILESCCC(=O)Nc1cnc(NC(=O)c2cccc(F)c2)cc1C
InChIInChI=1S/C16H16FN3O2/c1-3-15(21)19-13-9-18-14(7-10(13)2)20-16(22)11-5-4-6-12(17)8-11/h4-9H,3H2,1-2H3,(H,19,21)(H,18,20,22)
InChIKeyOQDZGQQDNPXQKH-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.13
Rot. Bonds4

About 3-fluoro-N-[4-methyl-5-(propanoylamino)-2-pyridinyl]benzamide

3-fluoro-N-[4-methyl-5-(propanoylamino)-2-pyridinyl]benzamide (PubChem CID 644584) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 3-fluoro-N-[4-methyl-5-(propanoylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-methyl-5-(propanoylamino)-2-pyridinyl]benzamide
PubChem CID644584
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name3-fluoro-N-[4-methyl-5-(propanoylamino)-2-pyridinyl]benzamide
SMILESCCC(=O)Nc1cnc(NC(=O)c2cccc(F)c2)cc1C
InChIInChI=1S/C16H16FN3O2/c1-3-15(21)19-13-9-18-14(7-10(13)2)20-16(22)11-5-4-6-12(17)8-11/h4-9H,3H2,1-2H3,(H,19,21)(H,18,20,22)
InChIKeyOQDZGQQDNPXQKH-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-N-[4-methyl-5-(propanoylamino)-2-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-methyl-5-(propanoylamino)-2-pyridinyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-methyl-5-(propanoylamino)-2-pyridinyl]benzamide (CID 644584) is 3-fluoro-N-[4-methyl-5-(propanoylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-methyl-5-(propanoylamino)-2-pyridinyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-methyl-5-(propanoylamino)-2-pyridinyl]benzamide is CCC(=O)Nc1cnc(NC(=O)c2cccc(F)c2)cc1C.
What is the InChIKey of 3-fluoro-N-[4-methyl-5-(propanoylamino)-2-pyridinyl]benzamide?
The InChIKey is OQDZGQQDNPXQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-3-15(21)19-13-9-18-14(7-10(13)2)20-16(22)11-5-4-6-12(17)8-11/h4-9H,3H2,1-2H3,(H,19,21)(H,18,20,22).
What are the key properties of 3-fluoro-N-[4-methyl-5-(propanoylamino)-2-pyridinyl]benzamide?
3-fluoro-N-[4-methyl-5-(propanoylamino)-2-pyridinyl]benzamide has a molecular weight of 301.32 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-methyl-5-(propanoylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 644584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).