3-[3-[(2-pyridin-2-ylacetyl)amino]phenyl]prop-2-enoic acid

C16H14N2O3 — CID 76907619

IUPAC3-[3-[(2-pyridin-2-ylacetyl)amino]phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1cccc(NC(=O)Cc2ccccn2)c1
InChIInChI=1S/C16H14N2O3/c19-15(11-13-5-1-2-9-17-13)18-14-6-3-4-12(10-14)7-8-16(20)21/h1-10H,11H2,(H,18,19)(H,20,21)
InChIKeyUUDOGFAILOSYJY-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.36
Rot. Bonds5

About 3-[3-[(2-pyridin-2-ylacetyl)amino]phenyl]prop-2-enoic acid

3-[3-[(2-pyridin-2-ylacetyl)amino]phenyl]prop-2-enoic acid (PubChem CID 76907619) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-[3-[(2-pyridin-2-ylacetyl)amino]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[3-[(2-pyridin-2-ylacetyl)amino]phenyl]prop-2-enoic acid
PubChem CID76907619
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name3-[3-[(2-pyridin-2-ylacetyl)amino]phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1cccc(NC(=O)Cc2ccccn2)c1
InChIInChI=1S/C16H14N2O3/c19-15(11-13-5-1-2-9-17-13)18-14-6-3-4-12(10-14)7-8-16(20)21/h1-10H,11H2,(H,18,19)(H,20,21)
InChIKeyUUDOGFAILOSYJY-UHFFFAOYSA-N
XLogP2.36
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidophenyl)-2-pyridin-2-ylacetamide
CID 110697004
N-phenyl-2-pyridin-2-ylacetamide chloride
CID 21234777
3-[3-(propanoylamino)phenyl]prop-2-enoic acid
CID 76907771
(E)-3-[3-(pyrimidin-2-ylcarbamoylamino)phenyl]prop-2-enoic acid
CID 115340564
2-[3-[(2-pyridin-2-ylacetyl)amino]phenoxy]acetic acid
CID 61058458
(E)-3-[3-(4-aminobutanoylamino)phenyl]prop-2-enoic acid
CID 115339757
(E)-3-[3-(methylcarbamoylamino)phenyl]prop-2-enoic acid
CID 115340518
3-[3-(pyridine-4-carbonylamino)phenyl]prop-2-enoic acid
CID 76907802
N-[3-[3-(2-phenylethenyl)-1H-indazole-6-carbonyl]phenyl]-2-pyridin-2-ylacetamide
CID 91592587
3-[3-(3-imidazol-1-ylpropanoylamino)phenyl]prop-2-enoic acid
CID 76907421
N-(3-hydroxy-4-methylphenyl)-2-pyridin-2-ylacetamide
CID 64794376
(E)-3-[3-(phenylmethoxycarbonylamino)phenyl]prop-2-enoic acid
CID 115339094

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-pyridin-2-ylacetyl)amino]phenyl]prop-2-enoic acid?
The IUPAC name of 3-[3-[(2-pyridin-2-ylacetyl)amino]phenyl]prop-2-enoic acid (CID 76907619) is 3-[3-[(2-pyridin-2-ylacetyl)amino]phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[3-[(2-pyridin-2-ylacetyl)amino]phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[3-[(2-pyridin-2-ylacetyl)amino]phenyl]prop-2-enoic acid is O=C(O)C=Cc1cccc(NC(=O)Cc2ccccn2)c1.
What is the InChIKey of 3-[3-[(2-pyridin-2-ylacetyl)amino]phenyl]prop-2-enoic acid?
The InChIKey is UUDOGFAILOSYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15(11-13-5-1-2-9-17-13)18-14-6-3-4-12(10-14)7-8-16(20)21/h1-10H,11H2,(H,18,19)(H,20,21).
What are the key properties of 3-[3-[(2-pyridin-2-ylacetyl)amino]phenyl]prop-2-enoic acid?
3-[3-[(2-pyridin-2-ylacetyl)amino]phenyl]prop-2-enoic acid has a molecular weight of 282.30 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-pyridin-2-ylacetyl)amino]phenyl]prop-2-enoic acid is sourced from PubChem (CID 76907619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).