4-[N-(2-pyridin-4-ylethyl)anilino]butanoic acid

C17H20N2O2 — CID 60892078

IUPAC4-[N-(2-pyridin-4-ylethyl)anilino]butanoic acid
SMILESO=C(O)CCCN(CCc1ccncc1)c1ccccc1
InChIInChI=1S/C17H20N2O2/c20-17(21)7-4-13-19(16-5-2-1-3-6-16)14-10-15-8-11-18-12-9-15/h1-3,5-6,8-9,11-12H,4,7,10,13-14H2,(H,20,21)
InChIKeyISYIBPVYISVGCF-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.00
Rot. Bonds8

About 4-[N-(2-pyridin-4-ylethyl)anilino]butanoic acid

4-[N-(2-pyridin-4-ylethyl)anilino]butanoic acid (PubChem CID 60892078) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[N-(2-pyridin-4-ylethyl)anilino]butanoic acid.

Molecular Properties

Compound Name4-[N-(2-pyridin-4-ylethyl)anilino]butanoic acid
PubChem CID60892078
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-[N-(2-pyridin-4-ylethyl)anilino]butanoic acid
SMILESO=C(O)CCCN(CCc1ccncc1)c1ccccc1
InChIInChI=1S/C17H20N2O2/c20-17(21)7-4-13-19(16-5-2-1-3-6-16)14-10-15-8-11-18-12-9-15/h1-3,5-6,8-9,11-12H,4,7,10,13-14H2,(H,20,21)
InChIKeyISYIBPVYISVGCF-UHFFFAOYSA-N
XLogP3.00
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[N-(2-pyridin-3-ylethyl)anilino]butanoic acid
CID 63262572
4-[N-(2-aminoethyl)anilino]butanoic acid
CID 63654603
N-benzyl-N-(3-pyridin-4-ylpropyl)aniline
CID 155930711
4-(N-ethylanilino)butanoic acid
CID 11390560
6-pyridin-4-ylhexanoic acid
CID 12904562
3-[N-(3-aminopropyl)anilino]propanoic acid
CID 63654243
2-[4-chloro-N-(2-pyridin-4-ylethyl)anilino]acetic acid
CID 60892663
2-[4-methyl-N-(2-pyridin-4-ylethyl)anilino]acetic acid
CID 60891884
4-[3-cyano-N-[2-(4-cyanophenyl)ethyl]anilino]butanoic acid
CID 70065593
2-[2-phenylethyl(4-pyridin-4-ylbutanoyl)amino]acetic acid
CID 20689270
4-[4-butyl-N-(2-carboxyethyl)anilino]butanoic acid
CID 95532684
4-[N-[(4-methylphenyl)methyl]anilino]butanoic acid
CID 60839271

Frequently Asked Questions

What is the IUPAC name of 4-[N-(2-pyridin-4-ylethyl)anilino]butanoic acid?
The IUPAC name of 4-[N-(2-pyridin-4-ylethyl)anilino]butanoic acid (CID 60892078) is 4-[N-(2-pyridin-4-ylethyl)anilino]butanoic acid.
What is the SMILES notation for 4-[N-(2-pyridin-4-ylethyl)anilino]butanoic acid?
The canonical SMILES for 4-[N-(2-pyridin-4-ylethyl)anilino]butanoic acid is O=C(O)CCCN(CCc1ccncc1)c1ccccc1.
What is the InChIKey of 4-[N-(2-pyridin-4-ylethyl)anilino]butanoic acid?
The InChIKey is ISYIBPVYISVGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-17(21)7-4-13-19(16-5-2-1-3-6-16)14-10-15-8-11-18-12-9-15/h1-3,5-6,8-9,11-12H,4,7,10,13-14H2,(H,20,21).
What are the key properties of 4-[N-(2-pyridin-4-ylethyl)anilino]butanoic acid?
4-[N-(2-pyridin-4-ylethyl)anilino]butanoic acid has a molecular weight of 284.36 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-(2-pyridin-4-ylethyl)anilino]butanoic acid is sourced from PubChem (CID 60892078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).