2-[N-[1-(5-fluoro-2-pyridinyl)propyl]anilino]acetic acid

C16H17FN2O2 — CID 115941688

IUPAC2-[N-[1-(5-fluoro-2-pyridinyl)propyl]anilino]acetic acid
SMILESCCC(c1ccc(F)cn1)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C16H17FN2O2/c1-2-15(14-9-8-12(17)10-18-14)19(11-16(20)21)13-6-4-3-5-7-13/h3-10,15H,2,11H2,1H3,(H,20,21)
InChIKeyHEDPCNPENOWEFY-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.26
Rot. Bonds6

About 2-[N-[1-(5-fluoro-2-pyridinyl)propyl]anilino]acetic acid

2-[N-[1-(5-fluoro-2-pyridinyl)propyl]anilino]acetic acid (PubChem CID 115941688) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-[N-[1-(5-fluoro-2-pyridinyl)propyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[N-[1-(5-fluoro-2-pyridinyl)propyl]anilino]acetic acid
PubChem CID115941688
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-[N-[1-(5-fluoro-2-pyridinyl)propyl]anilino]acetic acid
SMILESCCC(c1ccc(F)cn1)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C16H17FN2O2/c1-2-15(14-9-8-12(17)10-18-14)19(11-16(20)21)13-6-4-3-5-7-13/h3-10,15H,2,11H2,1H3,(H,20,21)
InChIKeyHEDPCNPENOWEFY-UHFFFAOYSA-N
XLogP3.26
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-[1-(4-fluorophenyl)propyl]anilino]acetic acid
CID 65059146
2-[N-[1-(2-hydroxyphenyl)propyl]anilino]acetic acid
CID 65056725
2-[N-[1-(4-methylphenyl)propyl]anilino]acetic acid
CID 65059575
2-[N-[1-(furan-2-yl)propyl]anilino]acetic acid
CID 65059482
2-[N-(dihydroxymethyl)anilino]acetic acid
CID 118193516
2-[(5-fluoropyridine-2-carbonyl)-propan-2-ylamino]acetic acid
CID 104638164
2-[N-(carboxymethyl)anilino]propanoic acid
CID 66721985
2-[N-(3-methylbutan-2-yl)anilino]acetic acid
CID 65059237
3-[1-(5-fluoro-2-pyridinyl)ethyl-methylamino]propanoic acid
CID 83128740
N-[1-(5-fluoro-2-pyridinyl)propyl]-N-methylazetidin-3-amine
CID 112585653
2-[tert-butyl-(5-fluoropyridine-2-carbonyl)amino]acetic acid
CID 113435829
2-[N-[1-(5-bromo-2-fluorophenyl)ethyl]anilino]acetic acid
CID 82956987

Frequently Asked Questions

What is the IUPAC name of 2-[N-[1-(5-fluoro-2-pyridinyl)propyl]anilino]acetic acid?
The IUPAC name of 2-[N-[1-(5-fluoro-2-pyridinyl)propyl]anilino]acetic acid (CID 115941688) is 2-[N-[1-(5-fluoro-2-pyridinyl)propyl]anilino]acetic acid.
What is the SMILES notation for 2-[N-[1-(5-fluoro-2-pyridinyl)propyl]anilino]acetic acid?
The canonical SMILES for 2-[N-[1-(5-fluoro-2-pyridinyl)propyl]anilino]acetic acid is CCC(c1ccc(F)cn1)N(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[N-[1-(5-fluoro-2-pyridinyl)propyl]anilino]acetic acid?
The InChIKey is HEDPCNPENOWEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-2-15(14-9-8-12(17)10-18-14)19(11-16(20)21)13-6-4-3-5-7-13/h3-10,15H,2,11H2,1H3,(H,20,21).
What are the key properties of 2-[N-[1-(5-fluoro-2-pyridinyl)propyl]anilino]acetic acid?
2-[N-[1-(5-fluoro-2-pyridinyl)propyl]anilino]acetic acid has a molecular weight of 288.32 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[1-(5-fluoro-2-pyridinyl)propyl]anilino]acetic acid is sourced from PubChem (CID 115941688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).