4-(oxolan-2-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid

C23H20N2O4 — CID 58508839

IUPAC4-(oxolan-2-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid
SMILESO=C(Nc1cc(C2CCCO2)ccc1C(=O)O)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C23H20N2O4/c26-22(18-11-17(13-24-14-18)15-5-2-1-3-6-15)25-20-12-16(21-7-4-10-29-21)8-9-19(20)23(27)28/h1-3,5-6,8-9,11-14,21H,4,7,10H2,(H,25,26)(H,27,28)
InChIKeyPZPOGSOFTDWSBA-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.55
Rot. Bonds5

About 4-(oxolan-2-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid

4-(oxolan-2-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid (PubChem CID 58508839) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-(oxolan-2-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid
PubChem CID58508839
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name4-(oxolan-2-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid
SMILESO=C(Nc1cc(C2CCCO2)ccc1C(=O)O)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C23H20N2O4/c26-22(18-11-17(13-24-14-18)15-5-2-1-3-6-15)25-20-12-16(21-7-4-10-29-21)8-9-19(20)23(27)28/h1-3,5-6,8-9,11-14,21H,4,7,10H2,(H,25,26)(H,27,28)
InChIKeyPZPOGSOFTDWSBA-UHFFFAOYSA-N
XLogP4.55
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 4-(oxolan-2-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid (CID 58508839) is 4-(oxolan-2-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-(oxolan-2-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-(oxolan-2-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid is O=C(Nc1cc(C2CCCO2)ccc1C(=O)O)c1cncc(-c2ccccc2)c1.
What is the InChIKey of 4-(oxolan-2-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is PZPOGSOFTDWSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c26-22(18-11-17(13-24-14-18)15-5-2-1-3-6-15)25-20-12-16(21-7-4-10-29-21)8-9-19(20)23(27)28/h1-3,5-6,8-9,11-14,21H,4,7,10H2,(H,25,26)(H,27,28).
What are the key properties of 4-(oxolan-2-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid?
4-(oxolan-2-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid has a molecular weight of 388.42 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 58508839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).