4-[6-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]tetrazin-5-yl]butan-2-yl acetate

C20H25N7O4 — CID 174415408

IUPAC4-[6-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]tetrazin-5-yl]butan-2-yl acetate
SMILES[H]/N=C(/c1ccc(C(=O)Nc2nnnnc2CCC(C)OC(C)=O)cc1)N1CCOCC1
InChIInChI=1S/C20H25N7O4/c1-13(31-14(2)28)3-8-17-19(24-26-25-23-17)22-20(29)16-6-4-15(5-7-16)18(21)27-9-11-30-12-10-27/h4-7,13,21H,3,8-12H2,1-2H3,(H,22,24,25,29)/b21-18-
InChIKeyZKTVWYGNTIUBLD-UZYVYHOESA-N
MW427.47 g/mol
LogP1.06
Rot. Bonds7

About 4-[6-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]tetrazin-5-yl]butan-2-yl acetate

4-[6-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]tetrazin-5-yl]butan-2-yl acetate (PubChem CID 174415408) has the molecular formula C20H25N7O4 and a molecular weight of 427.47 g/mol. Its IUPAC name is 4-[6-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]tetrazin-5-yl]butan-2-yl acetate.

Molecular Properties

Compound Name4-[6-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]tetrazin-5-yl]butan-2-yl acetate
PubChem CID174415408
Molecular FormulaC20H25N7O4
Molecular Weight427.47 g/mol
Exact Mass427.20
IUPAC Name4-[6-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]tetrazin-5-yl]butan-2-yl acetate
SMILES[H]/N=C(/c1ccc(C(=O)Nc2nnnnc2CCC(C)OC(C)=O)cc1)N1CCOCC1
InChIInChI=1S/C20H25N7O4/c1-13(31-14(2)28)3-8-17-19(24-26-25-23-17)22-20(29)16-6-4-15(5-7-16)18(21)27-9-11-30-12-10-27/h4-7,13,21H,3,8-12H2,1-2H3,(H,22,24,25,29)/b21-18-
InChIKeyZKTVWYGNTIUBLD-UZYVYHOESA-N
XLogP1.06
TPSA143.28 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[6-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]tetrazin-5-yl]butan-2-yl acetate 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-[7-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]naphthalen-2-yl]acetic acid
CID 100926117
N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide
CID 59089739
[(2R)-6-morpholin-4-yl-6-oxohexan-2-yl] acetate
CID 25138440
N-(5-bromo-2-pyridinyl)-3-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide
CID 22596357
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(morpholine-4-carboximidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidine-1-carboximidoyl)benzamide
CID 161194987
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide;methane
CID 159988306
4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 17194765
4-ethoxy-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 95246062
5-[(4-fluorobenzoyl)amino]-2-methyl-6-morpholin-4-yl-6-oxohexanoic acid
CID 174790333
morpholin-4-yl(naphthalen-2-yl)methanimine
CID 63179433
N-(5-bromo-2-pyridinyl)-5-methyl-2-[4-(morpholine-4-carboximidoyl)phenyl]pyrazole-3-carboxamide
CID 20595350
4-ethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258304

Frequently Asked Questions

What is the IUPAC name of 4-[6-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]tetrazin-5-yl]butan-2-yl acetate?
The IUPAC name of 4-[6-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]tetrazin-5-yl]butan-2-yl acetate (CID 174415408) is 4-[6-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]tetrazin-5-yl]butan-2-yl acetate.
What is the SMILES notation for 4-[6-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]tetrazin-5-yl]butan-2-yl acetate?
The canonical SMILES for 4-[6-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]tetrazin-5-yl]butan-2-yl acetate is [H]/N=C(/c1ccc(C(=O)Nc2nnnnc2CCC(C)OC(C)=O)cc1)N1CCOCC1.
What is the InChIKey of 4-[6-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]tetrazin-5-yl]butan-2-yl acetate?
The InChIKey is ZKTVWYGNTIUBLD-UZYVYHOESA-N. The full InChI is InChI=1S/C20H25N7O4/c1-13(31-14(2)28)3-8-17-19(24-26-25-23-17)22-20(29)16-6-4-15(5-7-16)18(21)27-9-11-30-12-10-27/h4-7,13,21H,3,8-12H2,1-2H3,(H,22,24,25,29)/b21-18-.
What are the key properties of 4-[6-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]tetrazin-5-yl]butan-2-yl acetate?
4-[6-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]tetrazin-5-yl]butan-2-yl acetate has a molecular weight of 427.47 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]tetrazin-5-yl]butan-2-yl acetate is sourced from PubChem (CID 174415408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).