3-[2-(pyridine-4-carbonylamino)phenyl]propanoic acid

C15H14N2O3 — CID 107272370

IUPAC3-[2-(pyridine-4-carbonylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1NC(=O)c1ccncc1
InChIInChI=1S/C15H14N2O3/c18-14(19)6-5-11-3-1-2-4-13(11)17-15(20)12-7-9-16-10-8-12/h1-4,7-10H,5-6H2,(H,17,20)(H,18,19)
InChIKeyLUEMLZOZWRJCEG-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.35
Rot. Bonds5

About 3-[2-(pyridine-4-carbonylamino)phenyl]propanoic acid

3-[2-(pyridine-4-carbonylamino)phenyl]propanoic acid (PubChem CID 107272370) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-[2-(pyridine-4-carbonylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(pyridine-4-carbonylamino)phenyl]propanoic acid
PubChem CID107272370
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-[2-(pyridine-4-carbonylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1NC(=O)c1ccncc1
InChIInChI=1S/C15H14N2O3/c18-14(19)6-5-11-3-1-2-4-13(11)17-15(20)12-7-9-16-10-8-12/h1-4,7-10H,5-6H2,(H,17,20)(H,18,19)
InChIKeyLUEMLZOZWRJCEG-UHFFFAOYSA-N
XLogP2.35
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(pyridine-3-carbonylamino)phenyl]propanoic acid
CID 107272327
3-[2-[(3-hydroxypyridine-4-carbonyl)amino]phenyl]propanoic acid
CID 107272392
3-[2-[(2-methylpyrazole-3-carbonyl)amino]phenyl]propanoic acid
CID 107272535
3-[2-[(5-iodothiophene-3-carbonyl)amino]phenyl]propanoic acid
CID 107272419
2-[2-(pyridazine-4-carbonylamino)phenyl]acetic acid
CID 112555123
N-(2-bromophenyl)pyridine-4-carboxamide
CID 882176
N-[2-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926052
N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926051
N-[5-(pyridine-4-carbonylamino)naphthalen-1-yl]pyridine-4-carboxamide
CID 101437440
2-[2-(3-pyridin-4-ylpropanoylamino)phenyl]acetic acid
CID 81455570
3-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 107272302
3-[2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenyl]propanoic acid
CID 107273501

Frequently Asked Questions

What is the IUPAC name of 3-[2-(pyridine-4-carbonylamino)phenyl]propanoic acid?
The IUPAC name of 3-[2-(pyridine-4-carbonylamino)phenyl]propanoic acid (CID 107272370) is 3-[2-(pyridine-4-carbonylamino)phenyl]propanoic acid.
What is the SMILES notation for 3-[2-(pyridine-4-carbonylamino)phenyl]propanoic acid?
The canonical SMILES for 3-[2-(pyridine-4-carbonylamino)phenyl]propanoic acid is O=C(O)CCc1ccccc1NC(=O)c1ccncc1.
What is the InChIKey of 3-[2-(pyridine-4-carbonylamino)phenyl]propanoic acid?
The InChIKey is LUEMLZOZWRJCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-14(19)6-5-11-3-1-2-4-13(11)17-15(20)12-7-9-16-10-8-12/h1-4,7-10H,5-6H2,(H,17,20)(H,18,19).
What are the key properties of 3-[2-(pyridine-4-carbonylamino)phenyl]propanoic acid?
3-[2-(pyridine-4-carbonylamino)phenyl]propanoic acid has a molecular weight of 270.29 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(pyridine-4-carbonylamino)phenyl]propanoic acid is sourced from PubChem (CID 107272370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).