2-(4-carboxy-2-pyridinyl)-6-[4-[(E)-2-(9-phenylcarbazol-2-yl)ethenyl]-1,2-dihydropyridin-2-yl]pyridine-4-carboxylic acid

C37H26N4O4 — CID 144975751

About 2-(4-carboxy-2-pyridinyl)-6-[4-[(E)-2-(9-phenylcarbazol-2-yl)ethenyl]-1,2-dihydropyridin-2-yl]pyridine-4-carboxylic acid

2-(4-carboxy-2-pyridinyl)-6-[4-[(E)-2-(9-phenylcarbazol-2-yl)ethenyl]-1,2-dihydropyridin-2-yl]pyridine-4-carboxylic acid (PubChem CID 144975751) has the molecular formula C37H26N4O4 and a molecular weight of 590.64 g/mol. Its IUPAC name is 2-(4-carboxy-2-pyridinyl)-6-[4-[(E)-2-(9-phenylcarbazol-2-yl)ethenyl]-1,2-dihydropyridin-2-yl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-(4-carboxy-2-pyridinyl)-6-[4-[(E)-2-(9-phenylcarbazol-2-yl)ethenyl]-1,2-dihydropyridin-2-yl]pyridine-4-carboxylic acid
• PubChem CID: 144975751
• Molecular Formula: C37H26N4O4
• Molecular Weight: 590.64 g/mol
• Exact Mass: 590.20
• IUPAC Name: 2-(4-carboxy-2-pyridinyl)-6-[4-[(E)-2-(9-phenylcarbazol-2-yl)ethenyl]-1,2-dihydropyridin-2-yl]pyridine-4-carboxylic acid
• SMILES: O=C(O)c1ccnc(-c2cc(C(=O)O)cc(C3C=C(/C=C/c4ccc5c6ccccc6n(-c6ccccc6)c5c4)C=CN3)n2)c1
• InChI: InChI=1S/C37H26N4O4/c42-36(43)25-15-17-39-31(20-25)33-22-26(37(44)45)21-32(40-33)30-18-24(14-16-38-30)11-10-23-12-13-29-28-8-4-5-9-34(28)41(35(29)19-23)27-6-2-1-3-7-27/h1-22,30,38H,(H,42,43)(H,44,45)/b11-10+
• InChIKey: DBNPQLYLZSLZSD-ZHACJKMWSA-N
• XLogP: 7.43
• TPSA: 117.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.64
LogP ≤ 5	7.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-2-pyridinyl)-6-[4-[(E)-2-(9-phenylcarbazol-2-yl)ethenyl]-1,2-dihydropyridin-2-yl]pyridine-4-carboxylic acid?

The IUPAC name of 2-(4-carboxy-2-pyridinyl)-6-[4-[(E)-2-(9-phenylcarbazol-2-yl)ethenyl]-1,2-dihydropyridin-2-yl]pyridine-4-carboxylic acid (CID 144975751) is 2-(4-carboxy-2-pyridinyl)-6-[4-[(E)-2-(9-phenylcarbazol-2-yl)ethenyl]-1,2-dihydropyridin-2-yl]pyridine-4-carboxylic acid.

What is the SMILES notation for 2-(4-carboxy-2-pyridinyl)-6-[4-[(E)-2-(9-phenylcarbazol-2-yl)ethenyl]-1,2-dihydropyridin-2-yl]pyridine-4-carboxylic acid?

The canonical SMILES for 2-(4-carboxy-2-pyridinyl)-6-[4-[(E)-2-(9-phenylcarbazol-2-yl)ethenyl]-1,2-dihydropyridin-2-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cc(C(=O)O)cc(C3C=C(/C=C/c4ccc5c6ccccc6n(-c6ccccc6)c5c4)C=CN3)n2)c1.

What is the InChIKey of 2-(4-carboxy-2-pyridinyl)-6-[4-[(E)-2-(9-phenylcarbazol-2-yl)ethenyl]-1,2-dihydropyridin-2-yl]pyridine-4-carboxylic acid?

The InChIKey is DBNPQLYLZSLZSD-ZHACJKMWSA-N. The full InChI is InChI=1S/C37H26N4O4/c42-36(43)25-15-17-39-31(20-25)33-22-26(37(44)45)21-32(40-33)30-18-24(14-16-38-30)11-10-23-12-13-29-28-8-4-5-9-34(28)41(35(29)19-23)27-6-2-1-3-7-27/h1-22,30,38H,(H,42,43)(H,44,45)/b11-10+.

What are the key properties of 2-(4-carboxy-2-pyridinyl)-6-[4-[(E)-2-(9-phenylcarbazol-2-yl)ethenyl]-1,2-dihydropyridin-2-yl]pyridine-4-carboxylic acid?

2-(4-carboxy-2-pyridinyl)-6-[4-[(E)-2-(9-phenylcarbazol-2-yl)ethenyl]-1,2-dihydropyridin-2-yl]pyridine-4-carboxylic acid has a molecular weight of 590.64 g/mol, XLogP of 7.43, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-carboxy-2-pyridinyl)-6-[4-[(E)-2-(9-phenylcarbazol-2-yl)ethenyl]-1,2-dihydropyridin-2-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 144975751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).