2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide

C14H11N5O2 — CID 4904114

IUPAC2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)Nc1ccccn1
InChIInChI=1S/C14H11N5O2/c20-13(16-12-7-3-4-8-15-12)9-19-14(21)10-5-1-2-6-11(10)17-18-19/h1-8H,9H2,(H,15,16,20)
InChIKeyBFMNKZUYWOHIEY-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.83
Rot. Bonds3

About 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide

2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide (PubChem CID 4904114) has the molecular formula C14H11N5O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide
PubChem CID4904114
Molecular FormulaC14H11N5O2
Molecular Weight281.28 g/mol
Exact Mass281.09
IUPAC Name2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)Nc1ccccn1
InChIInChI=1S/C14H11N5O2/c20-13(16-12-7-3-4-8-15-12)9-19-14(21)10-5-1-2-6-11(10)17-18-19/h1-8H,9H2,(H,15,16,20)
InChIKeyBFMNKZUYWOHIEY-UHFFFAOYSA-N
XLogP0.83
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylbutanamide
CID 4906393
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183
N-(4-tert-butylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 7919313
N-(4-anilinophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 46554459
N-(2,6-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714538
N-(3,5-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 27055170
N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714444
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-pyridin-2-ylpropyl]acetamide
CID 95228796
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24509256
N-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 38934566
N-(3-bromophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2695518
methyl 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]benzoate
CID 2714539

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide (CID 4904114) is 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide is O=C(Cn1nnc2ccccc2c1=O)Nc1ccccn1.
What is the InChIKey of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide?
The InChIKey is BFMNKZUYWOHIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2/c20-13(16-12-7-3-4-8-15-12)9-19-14(21)10-5-1-2-6-11(10)17-18-19/h1-8H,9H2,(H,15,16,20).
What are the key properties of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide?
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide has a molecular weight of 281.28 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 4904114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).