3-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)propanamide

C17H17N3O3 — CID 3238847

IUPAC3-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCN1C(=O)COc2ccccc21)NCc1cccnc1
InChIInChI=1S/C17H17N3O3/c21-16(19-11-13-4-3-8-18-10-13)7-9-20-14-5-1-2-6-15(14)23-12-17(20)22/h1-6,8,10H,7,9,11-12H2,(H,19,21)
InChIKeyYJMUDIPZGWAIED-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.51
Rot. Bonds5

About 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)propanamide

3-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 3238847) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID3238847
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCN1C(=O)COc2ccccc21)NCc1cccnc1
InChIInChI=1S/C17H17N3O3/c21-16(19-11-13-4-3-8-18-10-13)7-9-20-14-5-1-2-6-15(14)23-12-17(20)22/h1-6,8,10H,7,9,11-12H2,(H,19,21)
InChIKeyYJMUDIPZGWAIED-UHFFFAOYSA-N
XLogP1.51
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)propanamide (CID 3238847) is 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)propanamide is O=C(CCN1C(=O)COc2ccccc21)NCc1cccnc1.
What is the InChIKey of 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is YJMUDIPZGWAIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-16(19-11-13-4-3-8-18-10-13)7-9-20-14-5-1-2-6-15(14)23-12-17(20)22/h1-6,8,10H,7,9,11-12H2,(H,19,21).
What are the key properties of 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)propanamide?
3-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 311.34 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 3238847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).