6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(pyridin-2-ylmethyl)hexanamide

C19H21N5O2 — CID 45493872

IUPAC6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(pyridin-2-ylmethyl)hexanamide
SMILESO=C(CCCCCn1nnc2ccccc2c1=O)NCc1ccccn1
InChIInChI=1S/C19H21N5O2/c25-18(21-14-15-8-5-6-12-20-15)11-2-1-7-13-24-19(26)16-9-3-4-10-17(16)22-23-24/h3-6,8-10,12H,1-2,7,11,13-14H2,(H,21,25)
InChIKeyBOXOFOGJIDXUBU-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.06
Rot. Bonds8

About 6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(pyridin-2-ylmethyl)hexanamide

6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(pyridin-2-ylmethyl)hexanamide (PubChem CID 45493872) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(pyridin-2-ylmethyl)hexanamide.

Molecular Properties

Compound Name6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(pyridin-2-ylmethyl)hexanamide
PubChem CID45493872
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(pyridin-2-ylmethyl)hexanamide
SMILESO=C(CCCCCn1nnc2ccccc2c1=O)NCc1ccccn1
InChIInChI=1S/C19H21N5O2/c25-18(21-14-15-8-5-6-12-20-15)11-2-1-7-13-24-19(26)16-9-3-4-10-17(16)22-23-24/h3-6,8-10,12H,1-2,7,11,13-14H2,(H,21,25)
InChIKeyBOXOFOGJIDXUBU-UHFFFAOYSA-N
XLogP2.06
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylbutanamide
CID 4906393
N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
N-(furan-2-ylmethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 5045478
4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-pyrrol-1-ylethyl)butanamide
CID 56761021
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
N-(3-methyl-2-pyridinyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 51049182
7-amino-N-(pyridin-2-ylmethyl)heptanamide
CID 24706457
(2R)-3-methyl-2-[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]butanoic acid
CID 92815601
4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoate
CID 7061910
N-[(2-fluorophenyl)methyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 39430248
2-methyl-N-[2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]ethyl]propanamide
CID 39436419

Frequently Asked Questions

What is the IUPAC name of 6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(pyridin-2-ylmethyl)hexanamide?
The IUPAC name of 6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(pyridin-2-ylmethyl)hexanamide (CID 45493872) is 6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(pyridin-2-ylmethyl)hexanamide.
What is the SMILES notation for 6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(pyridin-2-ylmethyl)hexanamide?
The canonical SMILES for 6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(pyridin-2-ylmethyl)hexanamide is O=C(CCCCCn1nnc2ccccc2c1=O)NCc1ccccn1.
What is the InChIKey of 6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(pyridin-2-ylmethyl)hexanamide?
The InChIKey is BOXOFOGJIDXUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-18(21-14-15-8-5-6-12-20-15)11-2-1-7-13-24-19(26)16-9-3-4-10-17(16)22-23-24/h3-6,8-10,12H,1-2,7,11,13-14H2,(H,21,25).
What are the key properties of 6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(pyridin-2-ylmethyl)hexanamide?
6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(pyridin-2-ylmethyl)hexanamide has a molecular weight of 351.41 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(pyridin-2-ylmethyl)hexanamide is sourced from PubChem (CID 45493872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).