N-[3-(azetidin-3-yloxy)-6-chloropyridazin-4-yl]-2-chloropyridine-4-carboxamide;2-chloro-N-[6-chloro-3-[1-[3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxypyridazin-4-yl]pyridine-4-carboxamide

C35H29Cl5N10O4 — CID 173009375

About N-[3-(azetidin-3-yloxy)-6-chloropyridazin-4-yl]-2-chloropyridine-4-carboxamide;2-chloro-N-[6-chloro-3-[1-[3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxypyridazin-4-yl]pyridine-4-carboxamide

N-[3-(azetidin-3-yloxy)-6-chloropyridazin-4-yl]-2-chloropyridine-4-carboxamide;2-chloro-N-[6-chloro-3-[1-[3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxypyridazin-4-yl]pyridine-4-carboxamide (PubChem CID 173009375) has the molecular formula C35H29Cl5N10O4 and a molecular weight of 830.95 g/mol. Its IUPAC name is N-[3-(azetidin-3-yloxy)-6-chloropyridazin-4-yl]-2-chloropyridine-4-carboxamide;2-chloro-N-[6-chloro-3-[1-[3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxypyridazin-4-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-(azetidin-3-yloxy)-6-chloropyridazin-4-yl]-2-chloropyridine-4-carboxamide;2-chloro-N-[6-chloro-3-[1-[3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxypyridazin-4-yl]pyridine-4-carboxamide
• PubChem CID: 173009375
• Molecular Formula: C35H29Cl5N10O4
• Molecular Weight: 830.95 g/mol
• Exact Mass: 828.08
• IUPAC Name: N-[3-(azetidin-3-yloxy)-6-chloropyridazin-4-yl]-2-chloropyridine-4-carboxamide;2-chloro-N-[6-chloro-3-[1-[3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxypyridazin-4-yl]pyridine-4-carboxamide
• SMILES: O=C(Nc1cc(Cl)nnc1OC1CN(CC=Cc2ccc(Cl)cc2)C1)c1ccnc(Cl)c1.O=C(Nc1cc(Cl)nnc1OC1CNC1)c1ccnc(Cl)c1
• InChI: InChI=1S/C22H18Cl3N5O2.C13H11Cl2N5O2/c23-16-5-3-14(4-6-16)2-1-9-30-12-17(13-30)32-22-18(11-20(25)28-29-22)27-21(31)15-7-8-26-19(24)10-15;14-10-3-7(1-2-17-10)12(21)18-9-4-11(15)19-20-13(9)22-8-5-16-6-8/h1-8,10-11,17H,9,12-13H2,(H,27,28,31);1-4,8,16H,5-6H2,(H,18,19,21)
• InChIKey: XQAKEMPTOVRUIV-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 169.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	830.95
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(azetidin-3-yloxy)-6-chloropyridazin-4-yl]-2-chloropyridine-4-carboxamide;2-chloro-N-[6-chloro-3-[1-[3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxypyridazin-4-yl]pyridine-4-carboxamide?

The IUPAC name of N-[3-(azetidin-3-yloxy)-6-chloropyridazin-4-yl]-2-chloropyridine-4-carboxamide;2-chloro-N-[6-chloro-3-[1-[3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxypyridazin-4-yl]pyridine-4-carboxamide (CID 173009375) is N-[3-(azetidin-3-yloxy)-6-chloropyridazin-4-yl]-2-chloropyridine-4-carboxamide;2-chloro-N-[6-chloro-3-[1-[3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxypyridazin-4-yl]pyridine-4-carboxamide.

What is the SMILES notation for N-[3-(azetidin-3-yloxy)-6-chloropyridazin-4-yl]-2-chloropyridine-4-carboxamide;2-chloro-N-[6-chloro-3-[1-[3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxypyridazin-4-yl]pyridine-4-carboxamide?

The canonical SMILES for N-[3-(azetidin-3-yloxy)-6-chloropyridazin-4-yl]-2-chloropyridine-4-carboxamide;2-chloro-N-[6-chloro-3-[1-[3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxypyridazin-4-yl]pyridine-4-carboxamide is O=C(Nc1cc(Cl)nnc1OC1CN(CC=Cc2ccc(Cl)cc2)C1)c1ccnc(Cl)c1.O=C(Nc1cc(Cl)nnc1OC1CNC1)c1ccnc(Cl)c1.

What is the InChIKey of N-[3-(azetidin-3-yloxy)-6-chloropyridazin-4-yl]-2-chloropyridine-4-carboxamide;2-chloro-N-[6-chloro-3-[1-[3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxypyridazin-4-yl]pyridine-4-carboxamide?

The InChIKey is XQAKEMPTOVRUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl3N5O2.C13H11Cl2N5O2/c23-16-5-3-14(4-6-16)2-1-9-30-12-17(13-30)32-22-18(11-20(25)28-29-22)27-21(31)15-7-8-26-19(24)10-15;14-10-3-7(1-2-17-10)12(21)18-9-4-11(15)19-20-13(9)22-8-5-16-6-8/h1-8,10-11,17H,9,12-13H2,(H,27,28,31);1-4,8,16H,5-6H2,(H,18,19,21).

What are the key properties of N-[3-(azetidin-3-yloxy)-6-chloropyridazin-4-yl]-2-chloropyridine-4-carboxamide;2-chloro-N-[6-chloro-3-[1-[3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxypyridazin-4-yl]pyridine-4-carboxamide?

N-[3-(azetidin-3-yloxy)-6-chloropyridazin-4-yl]-2-chloropyridine-4-carboxamide;2-chloro-N-[6-chloro-3-[1-[3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxypyridazin-4-yl]pyridine-4-carboxamide has a molecular weight of 830.95 g/mol, XLogP of 6.64, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(azetidin-3-yloxy)-6-chloropyridazin-4-yl]-2-chloropyridine-4-carboxamide;2-chloro-N-[6-chloro-3-[1-[3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxypyridazin-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 173009375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).