N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

C20H19N5O3 — CID 136564089

About N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 136564089) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

• Compound Name: N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
• PubChem CID: 136564089
• Molecular Formula: C20H19N5O3
• Molecular Weight: 377.40 g/mol
• Exact Mass: 377.15
• IUPAC Name: N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
• SMILES: CC1Oc2ccccc2N(CC(=O)NCc2ccc(-n3ccnc3)nc2)C1=O
• InChI: InChI=1S/C20H19N5O3/c1-14-20(27)25(16-4-2-3-5-17(16)28-14)12-19(26)23-11-15-6-7-18(22-10-15)24-9-8-21-13-24/h2-10,13-14H,11-12H2,1H3,(H,23,26)
• InChIKey: NYYZVQXHZBMEEA-UHFFFAOYSA-N
• XLogP: 1.70
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.40
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?

The IUPAC name of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 136564089) is N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

What is the SMILES notation for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?

The canonical SMILES for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is CC1Oc2ccccc2N(CC(=O)NCc2ccc(-n3ccnc3)nc2)C1=O.

What is the InChIKey of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?

The InChIKey is NYYZVQXHZBMEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-14-20(27)25(16-4-2-3-5-17(16)28-14)12-19(26)23-11-15-6-7-18(22-10-15)24-9-8-21-13-24/h2-10,13-14H,11-12H2,1H3,(H,23,26).

What are the key properties of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?

N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 377.40 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 136564089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).