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

C17H17N3O3 — CID 110770413

IUPAC2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCN1C(=O)COc2ccc(CC(=O)NCc3cccnc3)cc21
InChIInChI=1S/C17H17N3O3/c1-20-14-7-12(4-5-15(14)23-11-17(20)22)8-16(21)19-10-13-3-2-6-18-9-13/h2-7,9H,8,10-11H2,1H3,(H,19,21)
InChIKeyUQAXRDQIAWRWCM-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.30
Rot. Bonds4

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

2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 110770413) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID110770413
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCN1C(=O)COc2ccc(CC(=O)NCc3cccnc3)cc21
InChIInChI=1S/C17H17N3O3/c1-20-14-7-12(4-5-15(14)23-11-17(20)22)8-16(21)19-10-13-3-2-6-18-9-13/h2-7,9H,8,10-11H2,1H3,(H,19,21)
InChIKeyUQAXRDQIAWRWCM-UHFFFAOYSA-N
XLogP1.30
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110770402
2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47350006
2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-(2-methylpropyl)acetamide
CID 110770379
N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-2-oxopropanamide
CID 115175658
phenyl N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]carbamate
CID 110783576
3-(3-fluorophenyl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]propanamide
CID 110783584
2-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]benzamide
CID 110783546
N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110783577
N-[2-(2-fluorophenyl)ethyl]-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770418
3-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 4218925
N-butan-2-yl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770380
N-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]propanamide
CID 110789967

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 110770413) is 2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide is CN1C(=O)COc2ccc(CC(=O)NCc3cccnc3)cc21.
What is the InChIKey of 2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is UQAXRDQIAWRWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-20-14-7-12(4-5-15(14)23-11-17(20)22)8-16(21)19-10-13-3-2-6-18-9-13/h2-7,9H,8,10-11H2,1H3,(H,19,21).
What are the key properties of 2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide?
2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 311.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 110770413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).