3-[2-[(3-hydroxypyridine-4-carbonyl)amino]phenyl]propanoic acid

C15H14N2O4 — CID 107272392

IUPAC3-[2-[(3-hydroxypyridine-4-carbonyl)amino]phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1NC(=O)c1ccncc1O
InChIInChI=1S/C15H14N2O4/c18-13-9-16-8-7-11(13)15(21)17-12-4-2-1-3-10(12)5-6-14(19)20/h1-4,7-9,18H,5-6H2,(H,17,21)(H,19,20)
InChIKeyKTHWOXRZYFEFFE-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.06
Rot. Bonds5

About 3-[2-[(3-hydroxypyridine-4-carbonyl)amino]phenyl]propanoic acid

3-[2-[(3-hydroxypyridine-4-carbonyl)amino]phenyl]propanoic acid (PubChem CID 107272392) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-[2-[(3-hydroxypyridine-4-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[(3-hydroxypyridine-4-carbonyl)amino]phenyl]propanoic acid
PubChem CID107272392
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name3-[2-[(3-hydroxypyridine-4-carbonyl)amino]phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1NC(=O)c1ccncc1O
InChIInChI=1S/C15H14N2O4/c18-13-9-16-8-7-11(13)15(21)17-12-4-2-1-3-10(12)5-6-14(19)20/h1-4,7-9,18H,5-6H2,(H,17,21)(H,19,20)
InChIKeyKTHWOXRZYFEFFE-UHFFFAOYSA-N
XLogP2.06
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(pyridine-4-carbonylamino)phenyl]propanoic acid
CID 107272370
3-[2-(pyridine-3-carbonylamino)phenyl]propanoic acid
CID 107272327
3-hydroxy-N-naphthalen-1-ylpyridine-4-carboxamide
CID 81443161
N-(2-chlorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81443413
N-(2-acetylphenyl)-3-hydroxypyridine-4-carboxamide
CID 81446255
2-[2-[[(3-hydroxypyridine-4-carbonyl)amino]methyl]phenyl]acetic acid
CID 81439005
3-chloro-N-(2-propylphenyl)pyridine-4-carboxamide
CID 66482935
N-(2,3-dichlorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81443246
3-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid
CID 107272339
N-[2-(1-aminoethyl)phenyl]-3-hydroxypyridine-4-carboxamide
CID 81445316
3-hydroxy-N-(3-iodo-2-methylphenyl)pyridine-4-carboxamide
CID 114256881
3-chloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 66462437

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-hydroxypyridine-4-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[2-[(3-hydroxypyridine-4-carbonyl)amino]phenyl]propanoic acid (CID 107272392) is 3-[2-[(3-hydroxypyridine-4-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-[(3-hydroxypyridine-4-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[2-[(3-hydroxypyridine-4-carbonyl)amino]phenyl]propanoic acid is O=C(O)CCc1ccccc1NC(=O)c1ccncc1O.
What is the InChIKey of 3-[2-[(3-hydroxypyridine-4-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is KTHWOXRZYFEFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-13-9-16-8-7-11(13)15(21)17-12-4-2-1-3-10(12)5-6-14(19)20/h1-4,7-9,18H,5-6H2,(H,17,21)(H,19,20).
What are the key properties of 3-[2-[(3-hydroxypyridine-4-carbonyl)amino]phenyl]propanoic acid?
3-[2-[(3-hydroxypyridine-4-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 286.29 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-hydroxypyridine-4-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 107272392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).