2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-phenylanilino)naphthalen-1-yl]-2-pyridinyl]pyridine-4-carboxylic acid

C39H26N4O4 — CID 145055045

IUPAC2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-phenylanilino)naphthalen-1-yl]-2-pyridinyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc(C(=O)O)cc(-c3cc(-c4cccc5c(N(c6ccccc6)c6ccccc6)cccc45)ccn3)n2)c1
InChIInChI=1S/C39H26N4O4/c44-38(45)26-18-20-41-34(22-26)36-24-27(39(46)47)23-35(42-36)33-21-25(17-19-40-33)30-13-7-15-32-31(30)14-8-16-37(32)43(28-9-3-1-4-10-28)29-11-5-2-6-12-29/h1-24H,(H,44,45)(H,46,47)
InChIKeyZUAGYUPNCJWKMZ-UHFFFAOYSA-N
MW614.66 g/mol
LogP8.89
Rot. Bonds8

About 2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-phenylanilino)naphthalen-1-yl]-2-pyridinyl]pyridine-4-carboxylic acid

2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-phenylanilino)naphthalen-1-yl]-2-pyridinyl]pyridine-4-carboxylic acid (PubChem CID 145055045) has the molecular formula C39H26N4O4 and a molecular weight of 614.66 g/mol. Its IUPAC name is 2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-phenylanilino)naphthalen-1-yl]-2-pyridinyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-phenylanilino)naphthalen-1-yl]-2-pyridinyl]pyridine-4-carboxylic acid
PubChem CID145055045
Molecular FormulaC39H26N4O4
Molecular Weight614.66 g/mol
Exact Mass614.20
IUPAC Name2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-phenylanilino)naphthalen-1-yl]-2-pyridinyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc(C(=O)O)cc(-c3cc(-c4cccc5c(N(c6ccccc6)c6ccccc6)cccc45)ccn3)n2)c1
InChIInChI=1S/C39H26N4O4/c44-38(45)26-18-20-41-34(22-26)36-24-27(39(46)47)23-35(42-36)33-21-25(17-19-40-33)30-13-7-15-32-31(30)14-8-16-37(32)43(28-9-3-1-4-10-28)29-11-5-2-6-12-29/h1-24H,(H,44,45)(H,46,47)
InChIKeyZUAGYUPNCJWKMZ-UHFFFAOYSA-N
XLogP8.89
TPSA116.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.66
LogP ≤ 58.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-phenylanilino)naphthalen-1-yl]-2-pyridinyl]pyridine-4-carboxylic acid with MolForge

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Related Compounds

2-(Pyridin-2-yl)quinoline-4-carboxylic acid
CID 24103
1'-[(3-Methyl-2-pyridinyl)methyl]-2-oxo-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-5-carboxylic acid
CID 57388001
2,3-Bis(2-pyridyl)quinoxaline-6-carboxylic acid
CID 394188
5-(3-(3-Benzyl-8-(trifluoromethyl)quinolin-4-yl)benzylamino)-1-naphthoic acid
CID 25225010
5-Phenylbenzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25253303
5-(2-Methylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 57394444
Sodium 2-(pyridin-2-yl)quinoline-4-carboxylate
CID 2818282
5-(3-Carbamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 57394443
5-Pyridin-4-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid
CID 57400204
4-[4-(2-Pyridin-2-ylquinolin-4-yl)piperazin-1-yl]benzoic acid
CID 73345794
2-[3-(3-Methylphenyl)-1-(naphthalen-1-ylmethyl)indol-4-yl]benzoic acid
CID 164619254
2-[3-(2-Methylphenyl)-1-(naphthalen-1-ylmethyl)indol-4-yl]benzoic acid
CID 164619384

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-phenylanilino)naphthalen-1-yl]-2-pyridinyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-phenylanilino)naphthalen-1-yl]-2-pyridinyl]pyridine-4-carboxylic acid (CID 145055045) is 2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-phenylanilino)naphthalen-1-yl]-2-pyridinyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-phenylanilino)naphthalen-1-yl]-2-pyridinyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-phenylanilino)naphthalen-1-yl]-2-pyridinyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cc(C(=O)O)cc(-c3cc(-c4cccc5c(N(c6ccccc6)c6ccccc6)cccc45)ccn3)n2)c1.
What is the InChIKey of 2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-phenylanilino)naphthalen-1-yl]-2-pyridinyl]pyridine-4-carboxylic acid?
The InChIKey is ZUAGYUPNCJWKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4O4/c44-38(45)26-18-20-41-34(22-26)36-24-27(39(46)47)23-35(42-36)33-21-25(17-19-40-33)30-13-7-15-32-31(30)14-8-16-37(32)43(28-9-3-1-4-10-28)29-11-5-2-6-12-29/h1-24H,(H,44,45)(H,46,47).
What are the key properties of 2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-phenylanilino)naphthalen-1-yl]-2-pyridinyl]pyridine-4-carboxylic acid?
2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-phenylanilino)naphthalen-1-yl]-2-pyridinyl]pyridine-4-carboxylic acid has a molecular weight of 614.66 g/mol, XLogP of 8.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-phenylanilino)naphthalen-1-yl]-2-pyridinyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 145055045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).