3-(N-acetyl-4-fluoroanilino)-N-(pyridin-4-ylmethyl)propanamide

C17H18FN3O2 — CID 113126859

IUPAC3-(N-acetyl-4-fluoroanilino)-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C17H18FN3O2/c1-13(22)21(16-4-2-15(18)3-5-16)11-8-17(23)20-12-14-6-9-19-10-7-14/h2-7,9-10H,8,11-12H2,1H3,(H,20,23)
InChIKeyWUMIKCORFVEWSC-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.28
Rot. Bonds6

About 3-(N-acetyl-4-fluoroanilino)-N-(pyridin-4-ylmethyl)propanamide

3-(N-acetyl-4-fluoroanilino)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 113126859) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-(N-acetyl-4-fluoroanilino)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-fluoroanilino)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID113126859
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name3-(N-acetyl-4-fluoroanilino)-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C17H18FN3O2/c1-13(22)21(16-4-2-15(18)3-5-16)11-8-17(23)20-12-14-6-9-19-10-7-14/h2-7,9-10H,8,11-12H2,1H3,(H,20,23)
InChIKeyWUMIKCORFVEWSC-UHFFFAOYSA-N
XLogP2.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N,4-diacetylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113130817
3-(N-acetyl-4-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113129082
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)propanamide
CID 113130337
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide
CID 113175276
3-(N-acetyl-4-ethylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113125365
3-[acetyl(propyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113114952
2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide
CID 113170925
3-[N-acetyl-4-(diethylamino)anilino]-N-benzylpropanamide
CID 113131852
2-(N-acetyl-4-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113169785
3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113133128
3-(N-acetyl-4-methoxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113129069
methyl 2-[acetyl-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]amino]benzoate
CID 113131230

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-fluoroanilino)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-fluoroanilino)-N-(pyridin-4-ylmethyl)propanamide (CID 113126859) is 3-(N-acetyl-4-fluoroanilino)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-fluoroanilino)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-fluoroanilino)-N-(pyridin-4-ylmethyl)propanamide is CC(=O)N(CCC(=O)NCc1ccncc1)c1ccc(F)cc1.
What is the InChIKey of 3-(N-acetyl-4-fluoroanilino)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is WUMIKCORFVEWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-13(22)21(16-4-2-15(18)3-5-16)11-8-17(23)20-12-14-6-9-19-10-7-14/h2-7,9-10H,8,11-12H2,1H3,(H,20,23).
What are the key properties of 3-(N-acetyl-4-fluoroanilino)-N-(pyridin-4-ylmethyl)propanamide?
3-(N-acetyl-4-fluoroanilino)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 315.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-fluoroanilino)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 113126859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).