3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide

C15H15F2N3O — CID 109023616

IUPAC3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCNc1c(F)cccc1F)NCc1cccnc1
InChIInChI=1S/C15H15F2N3O/c16-12-4-1-5-13(17)15(12)19-8-6-14(21)20-10-11-3-2-7-18-9-11/h1-5,7,9,19H,6,8,10H2,(H,20,21)
InChIKeyHXPPHEIWRQJOBR-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.48
Rot. Bonds6

About 3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide

3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 109023616) has the molecular formula C15H15F2N3O and a molecular weight of 291.30 g/mol. Its IUPAC name is 3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID109023616
Molecular FormulaC15H15F2N3O
Molecular Weight291.30 g/mol
Exact Mass291.12
IUPAC Name3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCNc1c(F)cccc1F)NCc1cccnc1
InChIInChI=1S/C15H15F2N3O/c16-12-4-1-5-13(17)15(12)19-8-6-14(21)20-10-11-3-2-7-18-9-11/h1-5,7,9,19H,6,8,10H2,(H,20,21)
InChIKeyHXPPHEIWRQJOBR-UHFFFAOYSA-N
XLogP2.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023536
3-[2,6-di(propan-2-yl)anilino]-N-(pyridin-3-ylmethyl)propanamide
CID 109023591
N-[(4-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide
CID 109021782
N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109021011
3-(2,3-dimethylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023524
3-[4-(dimethylamino)anilino]-N-(pyridin-3-ylmethyl)propanamide
CID 109023573
N-(2,6-difluorophenyl)-2-pyridin-3-ylacetamide
CID 110697216
3-(3-cyanoanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023612
2,6-difluoro-N-(2-pyridin-3-ylethyl)aniline
CID 55169588
3-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 109021790
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

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide (CID 109023616) is 3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide is O=C(CCNc1c(F)cccc1F)NCc1cccnc1.
What is the InChIKey of 3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is HXPPHEIWRQJOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O/c16-12-4-1-5-13(17)15(12)19-8-6-14(21)20-10-11-3-2-7-18-9-11/h1-5,7,9,19H,6,8,10H2,(H,20,21).
What are the key properties of 3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide?
3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 291.30 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 109023616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).