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

C17H17N3O3 — CID 3224977

IUPAC2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methyl-2-pyridinyl)acetamide
SMILESCc1cccnc1NC(=O)CN1C(=O)C(C)Oc2ccccc21
InChIInChI=1S/C17H17N3O3/c1-11-6-5-9-18-16(11)19-15(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)
InChIKeySNNIXKNEUWNMMA-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.14
Rot. Bonds3

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

2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methyl-2-pyridinyl)acetamide (PubChem CID 3224977) 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-(3-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methyl-2-pyridinyl)acetamide
PubChem CID3224977
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methyl-2-pyridinyl)acetamide
SMILESCc1cccnc1NC(=O)CN1C(=O)C(C)Oc2ccccc21
InChIInChI=1S/C17H17N3O3/c1-11-6-5-9-18-16(11)19-15(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)
InChIKeySNNIXKNEUWNMMA-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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Related Compounds

2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 43063137
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 23410212
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide
CID 28520009
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(3-pyrimidin-2-yloxyphenyl)acetamide
CID 39261004
N-(6-ethyl-2-methylpyrimidin-4-yl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 124607935
4-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid
CID 23409297
2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide
CID 23409985
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide
CID 7437484
N-(3-chloro-2-methylphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 23409254
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-quinolin-3-ylacetamide
CID 18146549
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 71898656
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(R)-phenyl(pyridin-2-yl)methyl]acetamide
CID 52545532

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methyl-2-pyridinyl)acetamide (CID 3224977) is 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methyl-2-pyridinyl)acetamide is Cc1cccnc1NC(=O)CN1C(=O)C(C)Oc2ccccc21.
What is the InChIKey of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methyl-2-pyridinyl)acetamide?
The InChIKey is SNNIXKNEUWNMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-11-6-5-9-18-16(11)19-15(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-(3-methyl-2-pyridinyl)acetamide?
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-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-(3-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 3224977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).