3-[(4-phenoxyphenyl)methylamino]pyridine-4-carboxylic acid

C19H16N2O3 — CID 86728199

IUPAC3-[(4-phenoxyphenyl)methylamino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1NCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H16N2O3/c22-19(23)17-10-11-20-13-18(17)21-12-14-6-8-16(9-7-14)24-15-4-2-1-3-5-15/h1-11,13,21H,12H2,(H,22,23)
InChIKeyCWCFXUDVLORTBW-UHFFFAOYSA-N
MW320.35 g/mol
LogP4.18
Rot. Bonds6

About 3-[(4-phenoxyphenyl)methylamino]pyridine-4-carboxylic acid

3-[(4-phenoxyphenyl)methylamino]pyridine-4-carboxylic acid (PubChem CID 86728199) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-[(4-phenoxyphenyl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(4-phenoxyphenyl)methylamino]pyridine-4-carboxylic acid
PubChem CID86728199
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name3-[(4-phenoxyphenyl)methylamino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1NCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H16N2O3/c22-19(23)17-10-11-20-13-18(17)21-12-14-6-8-16(9-7-14)24-15-4-2-1-3-5-15/h1-11,13,21H,12H2,(H,22,23)
InChIKeyCWCFXUDVLORTBW-UHFFFAOYSA-N
XLogP4.18
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenoxyphenyl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(4-phenoxyphenyl)methylamino]pyridine-4-carboxylic acid (CID 86728199) is 3-[(4-phenoxyphenyl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(4-phenoxyphenyl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(4-phenoxyphenyl)methylamino]pyridine-4-carboxylic acid is O=C(O)c1ccncc1NCc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-[(4-phenoxyphenyl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is CWCFXUDVLORTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-19(23)17-10-11-20-13-18(17)21-12-14-6-8-16(9-7-14)24-15-4-2-1-3-5-15/h1-11,13,21H,12H2,(H,22,23).
What are the key properties of 3-[(4-phenoxyphenyl)methylamino]pyridine-4-carboxylic acid?
3-[(4-phenoxyphenyl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 320.35 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenoxyphenyl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 86728199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).