N-[3-[6-methoxy-3,5-dioxo-4-[(5-propan-2-yl-2-pyridinyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide

C21H23N5O4 — CID 68699566

About N-[3-[6-methoxy-3,5-dioxo-4-[(5-propan-2-yl-2-pyridinyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide

N-[3-[6-methoxy-3,5-dioxo-4-[(5-propan-2-yl-2-pyridinyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide (PubChem CID 68699566) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[3-[6-methoxy-3,5-dioxo-4-[(5-propan-2-yl-2-pyridinyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[6-methoxy-3,5-dioxo-4-[(5-propan-2-yl-2-pyridinyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide
• PubChem CID: 68699566
• Molecular Formula: C21H23N5O4
• Molecular Weight: 409.45 g/mol
• Exact Mass: 409.18
• IUPAC Name: N-[3-[6-methoxy-3,5-dioxo-4-[(5-propan-2-yl-2-pyridinyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide
• SMILES: COc1nn(-c2cccc(NC(C)=O)c2)c(=O)n(Cc2ccc(C(C)C)cn2)c1=O
• InChI: InChI=1S/C21H23N5O4/c1-13(2)15-8-9-17(22-11-15)12-25-20(28)19(30-4)24-26(21(25)29)18-7-5-6-16(10-18)23-14(3)27/h5-11,13H,12H2,1-4H3,(H,23,27)
• InChIKey: XKBBYWXVVFMXIH-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 108.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.45
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-methoxy-3,5-dioxo-4-[(5-propan-2-yl-2-pyridinyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide?

The IUPAC name of N-[3-[6-methoxy-3,5-dioxo-4-[(5-propan-2-yl-2-pyridinyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide (CID 68699566) is N-[3-[6-methoxy-3,5-dioxo-4-[(5-propan-2-yl-2-pyridinyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide.

What is the SMILES notation for N-[3-[6-methoxy-3,5-dioxo-4-[(5-propan-2-yl-2-pyridinyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide?

The canonical SMILES for N-[3-[6-methoxy-3,5-dioxo-4-[(5-propan-2-yl-2-pyridinyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide is COc1nn(-c2cccc(NC(C)=O)c2)c(=O)n(Cc2ccc(C(C)C)cn2)c1=O.

What is the InChIKey of N-[3-[6-methoxy-3,5-dioxo-4-[(5-propan-2-yl-2-pyridinyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide?

The InChIKey is XKBBYWXVVFMXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-13(2)15-8-9-17(22-11-15)12-25-20(28)19(30-4)24-26(21(25)29)18-7-5-6-16(10-18)23-14(3)27/h5-11,13H,12H2,1-4H3,(H,23,27).

What are the key properties of N-[3-[6-methoxy-3,5-dioxo-4-[(5-propan-2-yl-2-pyridinyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide?

N-[3-[6-methoxy-3,5-dioxo-4-[(5-propan-2-yl-2-pyridinyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide has a molecular weight of 409.45 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[6-methoxy-3,5-dioxo-4-[(5-propan-2-yl-2-pyridinyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 68699566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).