2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]propanoylamino]benzoic acid

C18H16N4O4 — CID 24741310

IUPAC2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]propanoylamino]benzoic acid
SMILESO=C(CCc1ccn(-c2ccc(O)cn2)n1)Nc1ccccc1C(=O)O
InChIInChI=1S/C18H16N4O4/c23-13-6-7-16(19-11-13)22-10-9-12(21-22)5-8-17(24)20-15-4-2-1-3-14(15)18(25)26/h1-4,6-7,9-11,23H,5,8H2,(H,20,24)(H,25,26)
InChIKeyPLXBCICQWMMKFY-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.24
Rot. Bonds6

About 2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]propanoylamino]benzoic acid

2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]propanoylamino]benzoic acid (PubChem CID 24741310) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]propanoylamino]benzoic acid.

Molecular Properties

Compound Name2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]propanoylamino]benzoic acid
PubChem CID24741310
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]propanoylamino]benzoic acid
SMILESO=C(CCc1ccn(-c2ccc(O)cn2)n1)Nc1ccccc1C(=O)O
InChIInChI=1S/C18H16N4O4/c23-13-6-7-16(19-11-13)22-10-9-12(21-22)5-8-17(24)20-15-4-2-1-3-14(15)18(25)26/h1-4,6-7,9-11,23H,5,8H2,(H,20,24)(H,25,26)
InChIKeyPLXBCICQWMMKFY-UHFFFAOYSA-N
XLogP2.24
TPSA117.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]propanoylamino]benzoic acid?
The IUPAC name of 2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]propanoylamino]benzoic acid (CID 24741310) is 2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]propanoylamino]benzoic acid.
What is the SMILES notation for 2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]propanoylamino]benzoic acid?
The canonical SMILES for 2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]propanoylamino]benzoic acid is O=C(CCc1ccn(-c2ccc(O)cn2)n1)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]propanoylamino]benzoic acid?
The InChIKey is PLXBCICQWMMKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c23-13-6-7-16(19-11-13)22-10-9-12(21-22)5-8-17(24)20-15-4-2-1-3-14(15)18(25)26/h1-4,6-7,9-11,23H,5,8H2,(H,20,24)(H,25,26).
What are the key properties of 2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]propanoylamino]benzoic acid?
2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]propanoylamino]benzoic acid has a molecular weight of 352.35 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]propanoylamino]benzoic acid is sourced from PubChem (CID 24741310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).