5-[[2-[4-[5-chloro-2-(5,6-dihydro-1,4,2-dioxazin-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide

C26H26ClN5O7 — CID 135205954

About 5-[[2-[4-[5-chloro-2-(5,6-dihydro-1,4,2-dioxazin-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide

5-[[2-[4-[5-chloro-2-(5,6-dihydro-1,4,2-dioxazin-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide (PubChem CID 135205954) has the molecular formula C26H26ClN5O7 and a molecular weight of 555.98 g/mol. Its IUPAC name is 5-[[2-[4-[5-chloro-2-(5,6-dihydro-1,4,2-dioxazin-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[2-[4-[5-chloro-2-(5,6-dihydro-1,4,2-dioxazin-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide
• PubChem CID: 135205954
• Molecular Formula: C26H26ClN5O7
• Molecular Weight: 555.98 g/mol
• Exact Mass: 555.15
• IUPAC Name: 5-[[2-[4-[5-chloro-2-(5,6-dihydro-1,4,2-dioxazin-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide
• SMILES: COCCC(C(=O)Nc1ccc(C(N)=O)nc1)n1cc(OC)c(-c2cc(Cl)ccc2C2=NOCCO2)cc1=O
• InChI: InChI=1S/C26H26ClN5O7/c1-36-8-7-21(25(35)30-16-4-6-20(24(28)34)29-13-16)32-14-22(37-2)19(12-23(32)33)18-11-15(27)3-5-17(18)26-31-39-10-9-38-26/h3-6,11-14,21H,7-10H2,1-2H3,(H2,28,34)(H,30,35)
• InChIKey: KGGJSEUIYZFMSZ-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 156.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.98
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-[5-chloro-2-(5,6-dihydro-1,4,2-dioxazin-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide?

The IUPAC name of 5-[[2-[4-[5-chloro-2-(5,6-dihydro-1,4,2-dioxazin-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide (CID 135205954) is 5-[[2-[4-[5-chloro-2-(5,6-dihydro-1,4,2-dioxazin-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide.

What is the SMILES notation for 5-[[2-[4-[5-chloro-2-(5,6-dihydro-1,4,2-dioxazin-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide?

The canonical SMILES for 5-[[2-[4-[5-chloro-2-(5,6-dihydro-1,4,2-dioxazin-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide is COCCC(C(=O)Nc1ccc(C(N)=O)nc1)n1cc(OC)c(-c2cc(Cl)ccc2C2=NOCCO2)cc1=O.

What is the InChIKey of 5-[[2-[4-[5-chloro-2-(5,6-dihydro-1,4,2-dioxazin-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide?

The InChIKey is KGGJSEUIYZFMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O7/c1-36-8-7-21(25(35)30-16-4-6-20(24(28)34)29-13-16)32-14-22(37-2)19(12-23(32)33)18-11-15(27)3-5-17(18)26-31-39-10-9-38-26/h3-6,11-14,21H,7-10H2,1-2H3,(H2,28,34)(H,30,35).

What are the key properties of 5-[[2-[4-[5-chloro-2-(5,6-dihydro-1,4,2-dioxazin-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide?

5-[[2-[4-[5-chloro-2-(5,6-dihydro-1,4,2-dioxazin-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide has a molecular weight of 555.98 g/mol, XLogP of 2.60, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[4-[5-chloro-2-(5,6-dihydro-1,4,2-dioxazin-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 135205954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).