2-(3-naphthalen-2-ylanilino)pyridine-3-carboxylic acid

C22H16N2O2 — CID 70027003

IUPAC2-(3-naphthalen-2-ylanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1cccc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C22H16N2O2/c25-22(26)20-9-4-12-23-21(20)24-19-8-3-7-17(14-19)18-11-10-15-5-1-2-6-16(15)13-18/h1-14H,(H,23,24)(H,25,26)
InChIKeyMZVZBXCRPKFFGX-UHFFFAOYSA-N
MW340.38 g/mol
LogP5.34
Rot. Bonds4

About 2-(3-naphthalen-2-ylanilino)pyridine-3-carboxylic acid

2-(3-naphthalen-2-ylanilino)pyridine-3-carboxylic acid (PubChem CID 70027003) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(3-naphthalen-2-ylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-naphthalen-2-ylanilino)pyridine-3-carboxylic acid
PubChem CID70027003
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name2-(3-naphthalen-2-ylanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1cccc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C22H16N2O2/c25-22(26)20-9-4-12-23-21(20)24-19-8-3-7-17(14-19)18-11-10-15-5-1-2-6-16(15)13-18/h1-14H,(H,23,24)(H,25,26)
InChIKeyMZVZBXCRPKFFGX-UHFFFAOYSA-N
XLogP5.34
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-2-ylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-naphthalen-2-ylanilino)pyridine-3-carboxylic acid (CID 70027003) is 2-(3-naphthalen-2-ylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-naphthalen-2-ylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-naphthalen-2-ylanilino)pyridine-3-carboxylic acid is O=C(O)c1cccnc1Nc1cccc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 2-(3-naphthalen-2-ylanilino)pyridine-3-carboxylic acid?
The InChIKey is MZVZBXCRPKFFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-22(26)20-9-4-12-23-21(20)24-19-8-3-7-17(14-19)18-11-10-15-5-1-2-6-16(15)13-18/h1-14H,(H,23,24)(H,25,26).
What are the key properties of 2-(3-naphthalen-2-ylanilino)pyridine-3-carboxylic acid?
2-(3-naphthalen-2-ylanilino)pyridine-3-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 5.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-2-ylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 70027003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).