YPDKRRUNRKPPSC-UHFFFAOYSA-N

C₁₉H₁₆ClN₃O₃S — CID 75204010

About YPDKRRUNRKPPSC-UHFFFAOYSA-N

YPDKRRUNRKPPSC-UHFFFAOYSA-N (PubChem CID 75204010) has the molecular formula C₁₉H₁₆ClN₃O₃S and a molecular weight of 401.88 g/mol. Its IUPAC name is [8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

• Compound Name: YPDKRRUNRKPPSC-UHFFFAOYSA-N
• PubChem CID: 75204010
• Molecular Formula: C₁₉H₁₆ClN₃O₃S
• Molecular Weight: 401.88 g/mol
• Exact Mass: 401.06
• IUPAC Name: [8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
• SMILES: O=C(c1ccc2cncc(-c3ccc(Cl)cc3)c2n1)N1CCS(=O)(=O)CC1
• InChI: InChI=1S/C19H16ClN3O3S/c20-15-4-1-13(2-5-15)16-12-21-11-14-3-6-17(22-18(14)16)19(24)23-7-9-27(25,26)10-8-23/h1-6,11-12H,7-10H2
• InChIKey: YPDKRRUNRKPPSC-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 80.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.88
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of YPDKRRUNRKPPSC-UHFFFAOYSA-N?

The IUPAC name of YPDKRRUNRKPPSC-UHFFFAOYSA-N (CID 75204010) is [8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.

What is the SMILES notation for YPDKRRUNRKPPSC-UHFFFAOYSA-N?

The canonical SMILES for YPDKRRUNRKPPSC-UHFFFAOYSA-N is O=C(c1ccc2cncc(-c3ccc(Cl)cc3)c2n1)N1CCS(=O)(=O)CC1.

What is the InChIKey of YPDKRRUNRKPPSC-UHFFFAOYSA-N?

The InChIKey is YPDKRRUNRKPPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c20-15-4-1-13(2-5-15)16-12-21-11-14-3-6-17(22-18(14)16)19(24)23-7-9-27(25,26)10-8-23/h1-6,11-12H,7-10H2.

What are the key properties of YPDKRRUNRKPPSC-UHFFFAOYSA-N?

YPDKRRUNRKPPSC-UHFFFAOYSA-N has a molecular weight of 401.88 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for YPDKRRUNRKPPSC-UHFFFAOYSA-N is sourced from PubChem (CID 75204010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 75204010 — identifiers, structure, computed properties (public domain)

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