2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid

C16H16N2O3 — CID 43358510

IUPAC2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)CCc2cccnc2)cc1
InChIInChI=1S/C16H16N2O3/c19-15(8-5-13-2-1-9-17-11-13)18-14-6-3-12(4-7-14)10-16(20)21/h1-4,6-7,9,11H,5,8,10H2,(H,18,19)(H,20,21)
InChIKeyJHLGQIMAFZXVEZ-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.28
Rot. Bonds6

About 2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid

2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid (PubChem CID 43358510) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid
PubChem CID43358510
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)CCc2cccnc2)cc1
InChIInChI=1S/C16H16N2O3/c19-15(8-5-13-2-1-9-17-11-13)18-14-6-3-12(4-7-14)10-16(20)21/h1-4,6-7,9,11H,5,8,10H2,(H,18,19)(H,20,21)
InChIKeyJHLGQIMAFZXVEZ-UHFFFAOYSA-N
XLogP2.28
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-iodophenyl)-3-pyridin-3-ylpropanamide
CID 9206675
CID 66868100
CID 66868100
3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 36542434
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyridin-3-ylpropanamide
CID 37294420
2-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]acetic acid
CID 45346474
N-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylpropanamide
CID 35147983
3-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]propanoic acid
CID 115339339
N-[4-(4-cyanophenoxy)phenyl]-3-pyridin-3-ylpropanamide
CID 48872559
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
N-(1-methylpyrazol-4-yl)-3-pyridin-3-ylpropanamide
CID 32605738
N-(3-acetylphenyl)-3-pyridin-3-ylpropanamide
CID 9209643
N-cyclopropyl-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide
CID 131905029

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid?
The IUPAC name of 2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid (CID 43358510) is 2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid?
The canonical SMILES for 2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)CCc2cccnc2)cc1.
What is the InChIKey of 2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid?
The InChIKey is JHLGQIMAFZXVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-15(8-5-13-2-1-9-17-11-13)18-14-6-3-12(4-7-14)10-16(20)21/h1-4,6-7,9,11H,5,8,10H2,(H,18,19)(H,20,21).
What are the key properties of 2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid?
2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid has a molecular weight of 284.32 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid is sourced from PubChem (CID 43358510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).