4-[N-(2-pyridin-3-ylethyl)anilino]butanoic acid

C17H20N2O2 — CID 63262572

IUPAC4-[N-(2-pyridin-3-ylethyl)anilino]butanoic acid
SMILESO=C(O)CCCN(CCc1cccnc1)c1ccccc1
InChIInChI=1S/C17H20N2O2/c20-17(21)9-5-12-19(16-7-2-1-3-8-16)13-10-15-6-4-11-18-14-15/h1-4,6-8,11,14H,5,9-10,12-13H2,(H,20,21)
InChIKeyQVRBRZINBCFGQL-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.00
Rot. Bonds8

About 4-[N-(2-pyridin-3-ylethyl)anilino]butanoic acid

4-[N-(2-pyridin-3-ylethyl)anilino]butanoic acid (PubChem CID 63262572) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[N-(2-pyridin-3-ylethyl)anilino]butanoic acid.

Molecular Properties

Compound Name4-[N-(2-pyridin-3-ylethyl)anilino]butanoic acid
PubChem CID63262572
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-[N-(2-pyridin-3-ylethyl)anilino]butanoic acid
SMILESO=C(O)CCCN(CCc1cccnc1)c1ccccc1
InChIInChI=1S/C17H20N2O2/c20-17(21)9-5-12-19(16-7-2-1-3-8-16)13-10-15-6-4-11-18-14-15/h1-4,6-8,11,14H,5,9-10,12-13H2,(H,20,21)
InChIKeyQVRBRZINBCFGQL-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-4-ylethyl)anilino]butanoic acid
CID 60892078
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
4-[N-(2-aminoethyl)anilino]butanoic acid
CID 63654603
4-[methyl-(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 62691218
1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571
N-phenyl-4-pyridin-3-yl-N-(pyridin-3-ylmethyl)butanamide
CID 110613065
4-[methyl-[methyl(pyridin-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 43563730
4-(N-ethylanilino)butanoic acid
CID 11390560
sodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 173402275
3-(3-pyridin-3-ylpropoxy)propanoic acid
CID 21282788
3-[N-(3-aminopropyl)anilino]propanoic acid
CID 63654243
3-[(2-methylpropan-2-yl)oxycarbonyl-(3-pyridin-3-ylpropyl)amino]propanoic acid
CID 118973522

Frequently Asked Questions

What is the IUPAC name of 4-[N-(2-pyridin-3-ylethyl)anilino]butanoic acid?
The IUPAC name of 4-[N-(2-pyridin-3-ylethyl)anilino]butanoic acid (CID 63262572) is 4-[N-(2-pyridin-3-ylethyl)anilino]butanoic acid.
What is the SMILES notation for 4-[N-(2-pyridin-3-ylethyl)anilino]butanoic acid?
The canonical SMILES for 4-[N-(2-pyridin-3-ylethyl)anilino]butanoic acid is O=C(O)CCCN(CCc1cccnc1)c1ccccc1.
What is the InChIKey of 4-[N-(2-pyridin-3-ylethyl)anilino]butanoic acid?
The InChIKey is QVRBRZINBCFGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-17(21)9-5-12-19(16-7-2-1-3-8-16)13-10-15-6-4-11-18-14-15/h1-4,6-8,11,14H,5,9-10,12-13H2,(H,20,21).
What are the key properties of 4-[N-(2-pyridin-3-ylethyl)anilino]butanoic acid?
4-[N-(2-pyridin-3-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-3-ylethyl)anilino]butanoic acid is sourced from PubChem (CID 63262572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).