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

C19H16N2O2 — CID 71766727

IUPAC3-[(4-phenylphenyl)methylamino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H16N2O2/c22-19(23)17-10-11-20-13-18(17)21-12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-11,13,21H,12H2,(H,22,23)
InChIKeyRNBCOBWQQCESLL-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.06
Rot. Bonds5

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

3-[(4-phenylphenyl)methylamino]pyridine-4-carboxylic acid (PubChem CID 71766727) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-[(4-phenylphenyl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(4-phenylphenyl)methylamino]pyridine-4-carboxylic acid
PubChem CID71766727
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name3-[(4-phenylphenyl)methylamino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H16N2O2/c22-19(23)17-10-11-20-13-18(17)21-12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-11,13,21H,12H2,(H,22,23)
InChIKeyRNBCOBWQQCESLL-UHFFFAOYSA-N
XLogP4.06
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenylphenyl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(4-phenylphenyl)methylamino]pyridine-4-carboxylic acid (CID 71766727) is 3-[(4-phenylphenyl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(4-phenylphenyl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(4-phenylphenyl)methylamino]pyridine-4-carboxylic acid is O=C(O)c1ccncc1NCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-[(4-phenylphenyl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is RNBCOBWQQCESLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-19(23)17-10-11-20-13-18(17)21-12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-11,13,21H,12H2,(H,22,23).
What are the key properties of 3-[(4-phenylphenyl)methylamino]pyridine-4-carboxylic acid?
3-[(4-phenylphenyl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenylphenyl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 71766727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).