N-(3-methyl-2-pyridinyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide

C17H17N5O2 — CID 51049182

IUPACN-(3-methyl-2-pyridinyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
SMILESCc1cccnc1NC(=O)CCCn1nnc2ccccc2c1=O
InChIInChI=1S/C17H17N5O2/c1-12-6-4-10-18-16(12)19-15(23)9-5-11-22-17(24)13-7-2-3-8-14(13)20-21-22/h2-4,6-8,10H,5,9,11H2,1H3,(H,18,19,23)
InChIKeyGNVSLSBSUFLRFA-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.91
Rot. Bonds5

About N-(3-methyl-2-pyridinyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide

N-(3-methyl-2-pyridinyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide (PubChem CID 51049182) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
PubChem CID51049182
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-(3-methyl-2-pyridinyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
SMILESCc1cccnc1NC(=O)CCCn1nnc2ccccc2c1=O
InChIInChI=1S/C17H17N5O2/c1-12-6-4-10-18-16(12)19-15(23)9-5-11-22-17(24)13-7-2-3-8-14(13)20-21-22/h2-4,6-8,10H,5,9,11H2,1H3,(H,18,19,23)
InChIKeyGNVSLSBSUFLRFA-UHFFFAOYSA-N
XLogP1.91
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-methyl-2-pyridinyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide 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

4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylbutanamide
CID 4906393
N-(2-methylphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 39428140
N-[4-(dimethylamino)phenyl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 4909113
methyl 2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]benzoate
CID 4974103
N-(1H-benzimidazol-2-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 4906819
6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(pyridin-2-ylmethyl)hexanamide
CID 45493872
(2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid
CID 6356856
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
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 124844233

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide (CID 51049182) is N-(3-methyl-2-pyridinyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide is Cc1cccnc1NC(=O)CCCn1nnc2ccccc2c1=O.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide?
The InChIKey is GNVSLSBSUFLRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-12-6-4-10-18-16(12)19-15(23)9-5-11-22-17(24)13-7-2-3-8-14(13)20-21-22/h2-4,6-8,10H,5,9,11H2,1H3,(H,18,19,23).
What are the key properties of N-(3-methyl-2-pyridinyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide?
N-(3-methyl-2-pyridinyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide has a molecular weight of 323.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide is sourced from PubChem (CID 51049182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).