4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid

C16H18N2O2 — CID 54563679

IUPAC4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid
SMILESO=C(O)C(CCc1ccccn1)CCc1ccccn1
InChIInChI=1S/C16H18N2O2/c19-16(20)13(7-9-14-5-1-3-11-17-14)8-10-15-6-2-4-12-18-15/h1-6,11-13H,7-10H2,(H,19,20)
InChIKeyZSINKYLSBDSHSZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.74
Rot. Bonds7

About 4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid

4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid (PubChem CID 54563679) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid.

Molecular Properties

Compound Name4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid
PubChem CID54563679
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid
SMILESO=C(O)C(CCc1ccccn1)CCc1ccccn1
InChIInChI=1S/C16H18N2O2/c19-16(20)13(7-9-14-5-1-3-11-17-14)8-10-15-6-2-4-12-18-15/h1-6,11-13H,7-10H2,(H,19,20)
InChIKeyZSINKYLSBDSHSZ-UHFFFAOYSA-N
XLogP2.74
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-chlorophenyl)methyl]-4-pyridin-2-ylbutanoic acid
CID 79418089
5-cyclohexa-1,5-dien-1-yl-2-(2-pyridin-2-ylethyl)pentanoic acid
CID 143824375
2-amino-4-pyridin-2-ylbutanamide
CID 64990711
2-hydroxy-7-pyridin-2-ylheptanoic acid
CID 175122940
3-amino-5-pyridin-2-ylpentanamide
CID 154265454
2-hydroxy-3-pyridin-2-ylpropanoic acid chloride
CID 5351816
2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine
CID 175722818
2-(phenylmethoxycarbonylamino)-4-pyridin-2-ylbutanoic acid
CID 103666139
(2R)-5-pyridin-2-ylpentan-2-ol
CID 149104953
2,3-dihydroxybutanedioic acid;pyridin-2-ylmethanol
CID 70556575
acetic acid;2-propylpyridine;hydrobromide
CID 70094168
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid?
The IUPAC name of 4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid (CID 54563679) is 4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid.
What is the SMILES notation for 4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid?
The canonical SMILES for 4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid is O=C(O)C(CCc1ccccn1)CCc1ccccn1.
What is the InChIKey of 4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid?
The InChIKey is ZSINKYLSBDSHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16(20)13(7-9-14-5-1-3-11-17-14)8-10-15-6-2-4-12-18-15/h1-6,11-13H,7-10H2,(H,19,20).
What are the key properties of 4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid?
4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid has a molecular weight of 270.33 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid is sourced from PubChem (CID 54563679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).