6-[4-[1-[6-(3-hydroxypropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide

C27H29N3O4 — CID 91199263

About 6-[4-[1-[6-(3-hydroxypropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide

6-[4-[1-[6-(3-hydroxypropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide (PubChem CID 91199263) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is 6-[4-[1-[6-(3-hydroxypropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[1-[6-(3-hydroxypropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide
• PubChem CID: 91199263
• Molecular Formula: C27H29N3O4
• Molecular Weight: 459.55 g/mol
• Exact Mass: 459.22
• IUPAC Name: 6-[4-[1-[6-(3-hydroxypropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide
• SMILES: CC(c1ccc(-c2ccc(C(N)=O)cn2)cc1)N1CCC(CCCO)(c2ccccc2)OC1=O
• InChI: InChI=1S/C27H29N3O4/c1-19(20-8-10-21(11-9-20)24-13-12-22(18-29-24)25(28)32)30-16-15-27(14-5-17-31,34-26(30)33)23-6-3-2-4-7-23/h2-4,6-13,18-19,31H,5,14-17H2,1H3,(H2,28,32)
• InChIKey: QJCSMUBZLYPYGE-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 105.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.55
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-[6-(3-hydroxypropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide?

The IUPAC name of 6-[4-[1-[6-(3-hydroxypropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide (CID 91199263) is 6-[4-[1-[6-(3-hydroxypropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[4-[1-[6-(3-hydroxypropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide?

The canonical SMILES for 6-[4-[1-[6-(3-hydroxypropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide is CC(c1ccc(-c2ccc(C(N)=O)cn2)cc1)N1CCC(CCCO)(c2ccccc2)OC1=O.

What is the InChIKey of 6-[4-[1-[6-(3-hydroxypropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide?

The InChIKey is QJCSMUBZLYPYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4/c1-19(20-8-10-21(11-9-20)24-13-12-22(18-29-24)25(28)32)30-16-15-27(14-5-17-31,34-26(30)33)23-6-3-2-4-7-23/h2-4,6-13,18-19,31H,5,14-17H2,1H3,(H2,28,32).

What are the key properties of 6-[4-[1-[6-(3-hydroxypropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide?

6-[4-[1-[6-(3-hydroxypropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[1-[6-(3-hydroxypropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 91199263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).