N-(5-amino-6-oxoheptyl)-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide

C17H22N6O2 — CID 118351632

IUPACN-(5-amino-6-oxoheptyl)-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide
SMILESCC(=O)C(N)CCCCNC(=O)c1ccc(-c2nnc(C)nn2)cc1
InChIInChI=1S/C17H22N6O2/c1-11(24)15(18)5-3-4-10-19-17(25)14-8-6-13(7-9-14)16-22-20-12(2)21-23-16/h6-9,15H,3-5,10,18H2,1-2H3,(H,19,25)
InChIKeyGRYXEJGGORJMAN-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.06
Rot. Bonds8

About N-(5-amino-6-oxoheptyl)-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide

N-(5-amino-6-oxoheptyl)-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide (PubChem CID 118351632) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(5-amino-6-oxoheptyl)-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide.

Molecular Properties

Compound NameN-(5-amino-6-oxoheptyl)-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide
PubChem CID118351632
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN-(5-amino-6-oxoheptyl)-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide
SMILESCC(=O)C(N)CCCCNC(=O)c1ccc(-c2nnc(C)nn2)cc1
InChIInChI=1S/C17H22N6O2/c1-11(24)15(18)5-3-4-10-19-17(25)14-8-6-13(7-9-14)16-22-20-12(2)21-23-16/h6-9,15H,3-5,10,18H2,1-2H3,(H,19,25)
InChIKeyGRYXEJGGORJMAN-UHFFFAOYSA-N
XLogP1.06
TPSA123.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(5-amino-6-oxoheptyl)-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide 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

2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoyl]amino]hexanoic acid
CID 74223024
(2S)-2-amino-6-[(4-aminobenzoyl)amino]hexanoic acid
CID 70353770
4-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide
CID 167282073
2-amino-6-[[2-[4-(1,2,4,5-tetrazin-3-yl)phenyl]acetyl]amino]hexanoic acid
CID 123804497
(2S)-2-amino-6-[(4-ethenylbenzoyl)amino]hexanoic acid
CID 102361708
6-[(3-acetylbenzoyl)amino]-2-aminohexanoic acid
CID 76799570
N-[5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-4-phenylbenzamide
CID 23400721
(4-amino-5-oxohexyl)urea;ethane
CID 145237808
(2S)-2-amino-6-[[4-[dimethylamino(fluoro)phosphoryl]oxybenzoyl]amino]hexanoic acid
CID 177135902
N-[(5S)-5,6-diamino-6-oxohexyl]benzamide;ethane;methoxyethane
CID 90715248
4-amino-N-(6-methylheptyl)benzamide
CID 22753103
N-[6-amino-5-(hydroxyamino)-6-oxohexyl]-4-fluorobenzamide
CID 89197972

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-6-oxoheptyl)-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide?
The IUPAC name of N-(5-amino-6-oxoheptyl)-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide (CID 118351632) is N-(5-amino-6-oxoheptyl)-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide.
What is the SMILES notation for N-(5-amino-6-oxoheptyl)-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide?
The canonical SMILES for N-(5-amino-6-oxoheptyl)-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide is CC(=O)C(N)CCCCNC(=O)c1ccc(-c2nnc(C)nn2)cc1.
What is the InChIKey of N-(5-amino-6-oxoheptyl)-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide?
The InChIKey is GRYXEJGGORJMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-11(24)15(18)5-3-4-10-19-17(25)14-8-6-13(7-9-14)16-22-20-12(2)21-23-16/h6-9,15H,3-5,10,18H2,1-2H3,(H,19,25).
What are the key properties of N-(5-amino-6-oxoheptyl)-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide?
N-(5-amino-6-oxoheptyl)-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide has a molecular weight of 342.40 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-6-oxoheptyl)-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide is sourced from PubChem (CID 118351632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).