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

C16H15N3O3 — CID 5207567

IUPAC2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)COc2ccccc21)NCc1ccccn1
InChIInChI=1S/C16H15N3O3/c20-15(18-9-12-5-3-4-8-17-12)10-19-13-6-1-2-7-14(13)22-11-16(19)21/h1-8H,9-11H2,(H,18,20)
InChIKeyPHQLCVRWBSSNED-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.12
Rot. Bonds4

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

2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 5207567) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID5207567
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)COc2ccccc21)NCc1ccccn1
InChIInChI=1S/C16H15N3O3/c20-15(18-9-12-5-3-4-8-17-12)10-19-13-6-1-2-7-14(13)22-11-16(19)21/h1-8H,9-11H2,(H,18,20)
InChIKeyPHQLCVRWBSSNED-UHFFFAOYSA-N
XLogP1.12
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-2-carboxamide
CID 45560410
2-(2-nitrophenoxy)-N-(pyridin-3-yl)acetamide
CID 293815
N-(4-methylphenyl)-2-[methyl-(2-quinolin-8-yloxyacetyl)amino]acetamide
CID 2451027
2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 2524533
4-(2-{4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]piperidin-1-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one
CID 15982018
7-pyridin-3-yl-4H-1,4-benzoxazin-3-one
CID 44480385
N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-methyl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 118123942
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-2-carboxamide
CID 141363469
2-(2,4-difluorophenoxy)-N-pyridin-3-ylacetamide
CID 571926
2-phenoxy-N-(pyridin-4-yl)acetamide
CID 814784
2-(4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 564290
2-Phenoxy-N-(3-pyridinyl)acetamide
CID 309156

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 5207567) is 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide is O=C(CN1C(=O)COc2ccccc21)NCc1ccccn1.
What is the InChIKey of 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is PHQLCVRWBSSNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-15(18-9-12-5-3-4-8-17-12)10-19-13-6-1-2-7-14(13)22-11-16(19)21/h1-8H,9-11H2,(H,18,20).
What are the key properties of 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 297.31 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 5207567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).