3-(2-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide

C15H16FN3O — CID 109023536

IUPAC3-(2-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCNc1ccccc1F)NCc1cccnc1
InChIInChI=1S/C15H16FN3O/c16-13-5-1-2-6-14(13)18-9-7-15(20)19-11-12-4-3-8-17-10-12/h1-6,8,10,18H,7,9,11H2,(H,19,20)
InChIKeyUPJSIGQBAOFFAQ-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.34
Rot. Bonds6

About 3-(2-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide

3-(2-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 109023536) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-(2-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID109023536
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name3-(2-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCNc1ccccc1F)NCc1cccnc1
InChIInChI=1S/C15H16FN3O/c16-13-5-1-2-6-14(13)18-9-7-15(20)19-11-12-4-3-8-17-10-12/h1-6,8,10,18H,7,9,11H2,(H,19,20)
InChIKeyUPJSIGQBAOFFAQ-UHFFFAOYSA-N
XLogP2.34
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023616
3-(2,3-dimethylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023524
N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109021011
3-[4-(dimethylamino)anilino]-N-(pyridin-3-ylmethyl)propanamide
CID 109023573
3-(3-cyanoanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023612
3-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 109021790
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
3-[2,6-di(propan-2-yl)anilino]-N-(pyridin-3-ylmethyl)propanamide
CID 109023591
2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999506
4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 8852438
2,5-dichloro-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 47076367
N-benzyl-3-(2-cyano-3-fluoroanilino)propanamide
CID 133279513

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(2-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide (CID 109023536) is 3-(2-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(2-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide is O=C(CCNc1ccccc1F)NCc1cccnc1.
What is the InChIKey of 3-(2-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is UPJSIGQBAOFFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c16-13-5-1-2-6-14(13)18-9-7-15(20)19-11-12-4-3-8-17-10-12/h1-6,8,10,18H,7,9,11H2,(H,19,20).
What are the key properties of 3-(2-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide?
3-(2-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 273.31 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 109023536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).