5-cyclopropyl-2-[(6-methoxy-5-phenyl-3-pyridinyl)amino]benzoic acid

C22H20N2O3 — CID 25186449

IUPAC5-cyclopropyl-2-[(6-methoxy-5-phenyl-3-pyridinyl)amino]benzoic acid
SMILESCOc1ncc(Nc2ccc(C3CC3)cc2C(=O)O)cc1-c1ccccc1
InChIInChI=1S/C22H20N2O3/c1-27-21-18(15-5-3-2-4-6-15)12-17(13-23-21)24-20-10-9-16(14-7-8-14)11-19(20)22(25)26/h2-6,9-14,24H,7-8H2,1H3,(H,25,26)
InChIKeyBAYDZWCMOWRUPQ-UHFFFAOYSA-N
MW360.41 g/mol
LogP5.08
Rot. Bonds6

About 5-cyclopropyl-2-[(6-methoxy-5-phenyl-3-pyridinyl)amino]benzoic acid

5-cyclopropyl-2-[(6-methoxy-5-phenyl-3-pyridinyl)amino]benzoic acid (PubChem CID 25186449) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 5-cyclopropyl-2-[(6-methoxy-5-phenyl-3-pyridinyl)amino]benzoic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[(6-methoxy-5-phenyl-3-pyridinyl)amino]benzoic acid
PubChem CID25186449
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name5-cyclopropyl-2-[(6-methoxy-5-phenyl-3-pyridinyl)amino]benzoic acid
SMILESCOc1ncc(Nc2ccc(C3CC3)cc2C(=O)O)cc1-c1ccccc1
InChIInChI=1S/C22H20N2O3/c1-27-21-18(15-5-3-2-4-6-15)12-17(13-23-21)24-20-10-9-16(14-7-8-14)11-19(20)22(25)26/h2-6,9-14,24H,7-8H2,1H3,(H,25,26)
InChIKeyBAYDZWCMOWRUPQ-UHFFFAOYSA-N
XLogP5.08
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[(6-methoxy-5-phenyl-3-pyridinyl)amino]benzoic acid?
The IUPAC name of 5-cyclopropyl-2-[(6-methoxy-5-phenyl-3-pyridinyl)amino]benzoic acid (CID 25186449) is 5-cyclopropyl-2-[(6-methoxy-5-phenyl-3-pyridinyl)amino]benzoic acid.
What is the SMILES notation for 5-cyclopropyl-2-[(6-methoxy-5-phenyl-3-pyridinyl)amino]benzoic acid?
The canonical SMILES for 5-cyclopropyl-2-[(6-methoxy-5-phenyl-3-pyridinyl)amino]benzoic acid is COc1ncc(Nc2ccc(C3CC3)cc2C(=O)O)cc1-c1ccccc1.
What is the InChIKey of 5-cyclopropyl-2-[(6-methoxy-5-phenyl-3-pyridinyl)amino]benzoic acid?
The InChIKey is BAYDZWCMOWRUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-27-21-18(15-5-3-2-4-6-15)12-17(13-23-21)24-20-10-9-16(14-7-8-14)11-19(20)22(25)26/h2-6,9-14,24H,7-8H2,1H3,(H,25,26).
What are the key properties of 5-cyclopropyl-2-[(6-methoxy-5-phenyl-3-pyridinyl)amino]benzoic acid?
5-cyclopropyl-2-[(6-methoxy-5-phenyl-3-pyridinyl)amino]benzoic acid has a molecular weight of 360.41 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[(6-methoxy-5-phenyl-3-pyridinyl)amino]benzoic acid is sourced from PubChem (CID 25186449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).