2-chloro-N-[4,5-dichloro-2-[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxyphenyl]pyridine-4-carboxamide

C24H19Cl4N3O2 — CID 56640239

About 2-chloro-N-[4,5-dichloro-2-[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxyphenyl]pyridine-4-carboxamide

2-chloro-N-[4,5-dichloro-2-[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxyphenyl]pyridine-4-carboxamide (PubChem CID 56640239) has the molecular formula C24H19Cl4N3O2 and a molecular weight of 523.25 g/mol. Its IUPAC name is 2-chloro-N-[4,5-dichloro-2-[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxyphenyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-[4,5-dichloro-2-[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxyphenyl]pyridine-4-carboxamide
• PubChem CID: 56640239
• Molecular Formula: C24H19Cl4N3O2
• Molecular Weight: 523.25 g/mol
• Exact Mass: 521.02
• IUPAC Name: 2-chloro-N-[4,5-dichloro-2-[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxyphenyl]pyridine-4-carboxamide
• SMILES: O=C(Nc1cc(Cl)c(Cl)cc1OC1CN(C/C=C/c2ccc(Cl)cc2)C1)c1ccnc(Cl)c1
• InChI: InChI=1S/C24H19Cl4N3O2/c25-17-5-3-15(4-6-17)2-1-9-31-13-18(14-31)33-22-12-20(27)19(26)11-21(22)30-24(32)16-7-8-29-23(28)10-16/h1-8,10-12,18H,9,13-14H2,(H,30,32)/b2-1+
• InChIKey: XLCBQQQKUJPNQB-OWOJBTEDSA-N
• XLogP: 6.72
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.25
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4,5-dichloro-2-[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxyphenyl]pyridine-4-carboxamide?

The IUPAC name of 2-chloro-N-[4,5-dichloro-2-[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxyphenyl]pyridine-4-carboxamide (CID 56640239) is 2-chloro-N-[4,5-dichloro-2-[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxyphenyl]pyridine-4-carboxamide.

What is the SMILES notation for 2-chloro-N-[4,5-dichloro-2-[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxyphenyl]pyridine-4-carboxamide?

The canonical SMILES for 2-chloro-N-[4,5-dichloro-2-[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxyphenyl]pyridine-4-carboxamide is O=C(Nc1cc(Cl)c(Cl)cc1OC1CN(C/C=C/c2ccc(Cl)cc2)C1)c1ccnc(Cl)c1.

What is the InChIKey of 2-chloro-N-[4,5-dichloro-2-[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxyphenyl]pyridine-4-carboxamide?

The InChIKey is XLCBQQQKUJPNQB-OWOJBTEDSA-N. The full InChI is InChI=1S/C24H19Cl4N3O2/c25-17-5-3-15(4-6-17)2-1-9-31-13-18(14-31)33-22-12-20(27)19(26)11-21(22)30-24(32)16-7-8-29-23(28)10-16/h1-8,10-12,18H,9,13-14H2,(H,30,32)/b2-1+.

What are the key properties of 2-chloro-N-[4,5-dichloro-2-[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxyphenyl]pyridine-4-carboxamide?

2-chloro-N-[4,5-dichloro-2-[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxyphenyl]pyridine-4-carboxamide has a molecular weight of 523.25 g/mol, XLogP of 6.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[4,5-dichloro-2-[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxyphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 56640239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).