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

C16H15N5O2 — CID 4906393

IUPAC4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylbutanamide
SMILESO=C(CCCn1nnc2ccccc2c1=O)Nc1ccccn1
InChIInChI=1S/C16H15N5O2/c22-15(18-14-8-3-4-10-17-14)9-5-11-21-16(23)12-6-1-2-7-13(12)19-20-21/h1-4,6-8,10H,5,9,11H2,(H,17,18,22)
InChIKeyBQGVMSSJDLITPP-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.61
Rot. Bonds5

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

4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylbutanamide (PubChem CID 4906393) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylbutanamide
PubChem CID4906393
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylbutanamide
SMILESO=C(CCCn1nnc2ccccc2c1=O)Nc1ccccn1
InChIInChI=1S/C16H15N5O2/c22-15(18-14-8-3-4-10-17-14)9-5-11-21-16(23)12-6-1-2-7-13(12)19-20-21/h1-4,6-8,10H,5,9,11H2,(H,17,18,22)
InChIKeyBQGVMSSJDLITPP-UHFFFAOYSA-N
XLogP1.61
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide
CID 4904114
N-(3-methyl-2-pyridinyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 51049182
6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(pyridin-2-ylmethyl)hexanamide
CID 45493872
N-(1H-benzimidazol-2-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 4906819
N-[4-(dimethylamino)phenyl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 4909113
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 45491632
4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoate
CID 7061910
2-[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]benzamide
CID 4905480
6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1H-1,2,4-triazol-5-yl)hexanamide
CID 71709335
methyl 2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]benzoate
CID 4974103
(2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid
CID 6356856
4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-pyrrol-1-ylethyl)butanamide
CID 56761021

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylbutanamide?
The IUPAC name of 4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylbutanamide (CID 4906393) is 4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylbutanamide.
What is the SMILES notation for 4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylbutanamide?
The canonical SMILES for 4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylbutanamide is O=C(CCCn1nnc2ccccc2c1=O)Nc1ccccn1.
What is the InChIKey of 4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylbutanamide?
The InChIKey is BQGVMSSJDLITPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c22-15(18-14-8-3-4-10-17-14)9-5-11-21-16(23)12-6-1-2-7-13(12)19-20-21/h1-4,6-8,10H,5,9,11H2,(H,17,18,22).
What are the key properties of 4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylbutanamide?
4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylbutanamide has a molecular weight of 309.33 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylbutanamide is sourced from PubChem (CID 4906393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).