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

C15H14N2O3 — CID 107272327

IUPAC3-[2-(pyridine-3-carbonylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1NC(=O)c1cccnc1
InChIInChI=1S/C15H14N2O3/c18-14(19)8-7-11-4-1-2-6-13(11)17-15(20)12-5-3-9-16-10-12/h1-6,9-10H,7-8H2,(H,17,20)(H,18,19)
InChIKeyOPTWTQYYKDHTQU-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.35
Rot. Bonds5

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

3-[2-(pyridine-3-carbonylamino)phenyl]propanoic acid (PubChem CID 107272327) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-[2-(pyridine-3-carbonylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(pyridine-3-carbonylamino)phenyl]propanoic acid
PubChem CID107272327
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-[2-(pyridine-3-carbonylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1NC(=O)c1cccnc1
InChIInChI=1S/C15H14N2O3/c18-14(19)8-7-11-4-1-2-6-13(11)17-15(20)12-5-3-9-16-10-12/h1-6,9-10H,7-8H2,(H,17,20)(H,18,19)
InChIKeyOPTWTQYYKDHTQU-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-4-carbonylamino)phenyl]propanoic acid
CID 107272370
N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
3-[2-[(3-hydroxypyridine-4-carbonyl)amino]phenyl]propanoic acid
CID 107272392
N-naphthalen-1-ylpyridine-3-carboxamide
CID 532824
N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926051
N-[2-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926052
N-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926036
N-[2-[[(2-iodobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925872
N-[2-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926146
3-[2-[(5-iodothiophene-3-carbonyl)amino]phenyl]propanoic acid
CID 107272419
N-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide
CID 108925269
2-[2-(pyridazine-4-carbonylamino)phenyl]acetic acid
CID 112555123

Frequently Asked Questions

What is the IUPAC name of 3-[2-(pyridine-3-carbonylamino)phenyl]propanoic acid?
The IUPAC name of 3-[2-(pyridine-3-carbonylamino)phenyl]propanoic acid (CID 107272327) is 3-[2-(pyridine-3-carbonylamino)phenyl]propanoic acid.
What is the SMILES notation for 3-[2-(pyridine-3-carbonylamino)phenyl]propanoic acid?
The canonical SMILES for 3-[2-(pyridine-3-carbonylamino)phenyl]propanoic acid is O=C(O)CCc1ccccc1NC(=O)c1cccnc1.
What is the InChIKey of 3-[2-(pyridine-3-carbonylamino)phenyl]propanoic acid?
The InChIKey is OPTWTQYYKDHTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-14(19)8-7-11-4-1-2-6-13(11)17-15(20)12-5-3-9-16-10-12/h1-6,9-10H,7-8H2,(H,17,20)(H,18,19).
What are the key properties of 3-[2-(pyridine-3-carbonylamino)phenyl]propanoic acid?
3-[2-(pyridine-3-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-3-carbonylamino)phenyl]propanoic acid is sourced from PubChem (CID 107272327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).