2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(pyridin-4-ylmethyl)acetamide

C16H17N3O2 — CID 110754905

IUPAC2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(CN1CCOc2ccccc21)NCc1ccncc1
InChIInChI=1S/C16H17N3O2/c20-16(18-11-13-5-7-17-8-6-13)12-19-9-10-21-15-4-2-1-3-14(15)19/h1-8H,9-12H2,(H,18,20)
InChIKeyLYKDLVUYEXUWQX-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.60
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(pyridin-4-ylmethyl)acetamide

2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 110754905) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID110754905
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(CN1CCOc2ccccc21)NCc1ccncc1
InChIInChI=1S/C16H17N3O2/c20-16(18-11-13-5-7-17-8-6-13)12-19-9-10-21-15-4-2-1-3-14(15)19/h1-8H,9-12H2,(H,18,20)
InChIKeyLYKDLVUYEXUWQX-UHFFFAOYSA-N
XLogP1.60
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 110754901
2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 47389879
2-[16-oxo-2-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-9-oxa-2,15,19-triazatricyclo[15.3.1.03,8]henicosa-1(20),3,5,7,17(21),18-hexaen-15-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 155995785
N-benzyl-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 18837645
1-(azepan-1-yl)-2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 110754927
2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1H-indazol-6-yl)acetamide
CID 110754943
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 42812239
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686501
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 108999855
2-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]acetamide
CID 110729885
5-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 51126057
2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 71984268

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(pyridin-4-ylmethyl)acetamide (CID 110754905) is 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(pyridin-4-ylmethyl)acetamide is O=C(CN1CCOc2ccccc21)NCc1ccncc1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is LYKDLVUYEXUWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-16(18-11-13-5-7-17-8-6-13)12-19-9-10-21-15-4-2-1-3-14(15)19/h1-8H,9-12H2,(H,18,20).
What are the key properties of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(pyridin-4-ylmethyl)acetamide?
2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 283.33 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 110754905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).