N-[4-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methylphenyl]acetamide

C16H18FN3O — CID 103935529

IUPACN-[4-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(C)c2cncc(F)c2)cc1C
InChIInChI=1S/C16H18FN3O/c1-10-6-15(4-5-16(10)20-12(3)21)19-11(2)13-7-14(17)9-18-8-13/h4-9,11,19H,1-3H3,(H,20,21)
InChIKeyUMGNMZAIJJWHJF-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.66
Rot. Bonds4

About N-[4-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methylphenyl]acetamide

N-[4-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methylphenyl]acetamide (PubChem CID 103935529) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[4-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methylphenyl]acetamide
PubChem CID103935529
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-[4-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(C)c2cncc(F)c2)cc1C
InChIInChI=1S/C16H18FN3O/c1-10-6-15(4-5-16(10)20-12(3)21)19-11(2)13-7-14(17)9-18-8-13/h4-9,11,19H,1-3H3,(H,20,21)
InChIKeyUMGNMZAIJJWHJF-UHFFFAOYSA-N
XLogP3.66
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-fluoro-5-[1-(5-fluoro-3-pyridinyl)ethylamino]phenyl]acetamide
CID 103935526
N-[2-methyl-4-(1-pyridin-4-ylethylamino)phenyl]acetamide
CID 43672879
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline
CID 114080544
5-fluoro-N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylaniline
CID 113354817
4-tert-butyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]aniline
CID 103930885
N-[2-methyl-4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide
CID 34284461
N-[2-methyl-4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide
CID 34284466
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,4-dimethoxyaniline
CID 103930916
N-[2-methyl-4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]acetamide
CID 43672908
3-bromo-N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline
CID 114262019
N-[2-fluoro-5-(1-pyridin-4-ylethylamino)phenyl]acetamide
CID 60927576
N-[4-(butan-2-ylamino)-2-methylphenyl]acetamide
CID 43672867

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methylphenyl]acetamide?
The IUPAC name of N-[4-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methylphenyl]acetamide (CID 103935529) is N-[4-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[4-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methylphenyl]acetamide is CC(=O)Nc1ccc(NC(C)c2cncc(F)c2)cc1C.
What is the InChIKey of N-[4-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methylphenyl]acetamide?
The InChIKey is UMGNMZAIJJWHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-10-6-15(4-5-16(10)20-12(3)21)19-11(2)13-7-14(17)9-18-8-13/h4-9,11,19H,1-3H3,(H,20,21).
What are the key properties of N-[4-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methylphenyl]acetamide?
N-[4-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methylphenyl]acetamide has a molecular weight of 287.34 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methylphenyl]acetamide is sourced from PubChem (CID 103935529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).