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

C17H17N3O3 — CID 3224966

IUPAC2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)C(C)Oc3ccccc32)n1
InChIInChI=1S/C17H17N3O3/c1-11-6-5-9-15(18-11)19-16(21)10-20-13-7-3-4-8-14(13)23-12(2)17(20)22/h3-9,12H,10H2,1-2H3,(H,18,19,21)
InChIKeyIFGRVYVDPPSHKU-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.14
Rot. Bonds3

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

2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide (PubChem CID 3224966) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide
PubChem CID3224966
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)C(C)Oc3ccccc32)n1
InChIInChI=1S/C17H17N3O3/c1-11-6-5-9-15(18-11)19-16(21)10-20-13-7-3-4-8-14(13)23-12(2)17(20)22/h3-9,12H,10H2,1-2H3,(H,18,19,21)
InChIKeyIFGRVYVDPPSHKU-UHFFFAOYSA-N
XLogP2.14
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide (CID 3224966) is 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide is Cc1cccc(NC(=O)CN2C(=O)C(C)Oc3ccccc32)n1.
What is the InChIKey of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide?
The InChIKey is IFGRVYVDPPSHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-11-6-5-9-15(18-11)19-16(21)10-20-13-7-3-4-8-14(13)23-12(2)17(20)22/h3-9,12H,10H2,1-2H3,(H,18,19,21).
What are the key properties of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide?
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide has a molecular weight of 311.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 3224966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).