N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide

C17H17N5O2 — CID 86829861

IUPACN-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
SMILESCC(c1ccncc1)N(C)C(=O)Cn1nnc2ccccc2c1=O
InChIInChI=1S/C17H17N5O2/c1-12(13-7-9-18-10-8-13)21(2)16(23)11-22-17(24)14-5-3-4-6-15(14)19-20-22/h3-10,12H,11H2,1-2H3
InChIKeyBOJLOWOASSYBGI-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.41
Rot. Bonds4

About N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide

N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide (PubChem CID 86829861) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
PubChem CID86829861
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
SMILESCC(c1ccncc1)N(C)C(=O)Cn1nnc2ccccc2c1=O
InChIInChI=1S/C17H17N5O2/c1-12(13-7-9-18-10-8-13)21(2)16(23)11-22-17(24)14-5-3-4-6-15(14)19-20-22/h3-10,12H,11H2,1-2H3
InChIKeyBOJLOWOASSYBGI-UHFFFAOYSA-N
XLogP1.41
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 134053912
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 8879212
N-methyl-2-(3-methylindol-1-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 94347341
N-cyclopropyl-N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 39533398
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 2714528
N-[(2S)-5-methylhexan-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 8879393
N-(5-methylhexan-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 78812534
N-(2-methylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2110452
N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 55768036
3-[2-[4-(4-methylpentanoyl)piperazin-1-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 55921868
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 27795536
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide?
The IUPAC name of N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide (CID 86829861) is N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide?
The canonical SMILES for N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide is CC(c1ccncc1)N(C)C(=O)Cn1nnc2ccccc2c1=O.
What is the InChIKey of N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide?
The InChIKey is BOJLOWOASSYBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-12(13-7-9-18-10-8-13)21(2)16(23)11-22-17(24)14-5-3-4-6-15(14)19-20-22/h3-10,12H,11H2,1-2H3.
What are the key properties of N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide?
N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide has a molecular weight of 323.36 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 86829861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).