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

C21H18N2O2 — CID 25186720

IUPAC5-cyclopropyl-2-[(5-phenyl-3-pyridinyl)amino]benzoic acid
SMILESO=C(O)c1cc(C2CC2)ccc1Nc1cncc(-c2ccccc2)c1
InChIInChI=1S/C21H18N2O2/c24-21(25)19-11-16(15-6-7-15)8-9-20(19)23-18-10-17(12-22-13-18)14-4-2-1-3-5-14/h1-5,8-13,15,23H,6-7H2,(H,24,25)
InChIKeyNNTOFPYWDOJPGX-UHFFFAOYSA-N
MW330.39 g/mol
LogP5.07
Rot. Bonds5

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

5-cyclopropyl-2-[(5-phenyl-3-pyridinyl)amino]benzoic acid (PubChem CID 25186720) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-cyclopropyl-2-[(5-phenyl-3-pyridinyl)amino]benzoic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[(5-phenyl-3-pyridinyl)amino]benzoic acid
PubChem CID25186720
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name5-cyclopropyl-2-[(5-phenyl-3-pyridinyl)amino]benzoic acid
SMILESO=C(O)c1cc(C2CC2)ccc1Nc1cncc(-c2ccccc2)c1
InChIInChI=1S/C21H18N2O2/c24-21(25)19-11-16(15-6-7-15)8-9-20(19)23-18-10-17(12-22-13-18)14-4-2-1-3-5-14/h1-5,8-13,15,23H,6-7H2,(H,24,25)
InChIKeyNNTOFPYWDOJPGX-UHFFFAOYSA-N
XLogP5.07
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.39
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[(5-phenyl-3-pyridinyl)amino]benzoic acid?
The IUPAC name of 5-cyclopropyl-2-[(5-phenyl-3-pyridinyl)amino]benzoic acid (CID 25186720) is 5-cyclopropyl-2-[(5-phenyl-3-pyridinyl)amino]benzoic acid.
What is the SMILES notation for 5-cyclopropyl-2-[(5-phenyl-3-pyridinyl)amino]benzoic acid?
The canonical SMILES for 5-cyclopropyl-2-[(5-phenyl-3-pyridinyl)amino]benzoic acid is O=C(O)c1cc(C2CC2)ccc1Nc1cncc(-c2ccccc2)c1.
What is the InChIKey of 5-cyclopropyl-2-[(5-phenyl-3-pyridinyl)amino]benzoic acid?
The InChIKey is NNTOFPYWDOJPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c24-21(25)19-11-16(15-6-7-15)8-9-20(19)23-18-10-17(12-22-13-18)14-4-2-1-3-5-14/h1-5,8-13,15,23H,6-7H2,(H,24,25).
What are the key properties of 5-cyclopropyl-2-[(5-phenyl-3-pyridinyl)amino]benzoic acid?
5-cyclopropyl-2-[(5-phenyl-3-pyridinyl)amino]benzoic acid has a molecular weight of 330.39 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[(5-phenyl-3-pyridinyl)amino]benzoic acid is sourced from PubChem (CID 25186720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).