2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;4-[(2-aminophenoxy)methyl]-1,3-dioxol-2-one

C17H20N6O5 — CID 164908857

IUPAC2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;4-[(2-aminophenoxy)methyl]-1,3-dioxol-2-one
SMILESNCC(=O)Nc1ccc(N)c(N)n1.Nc1ccccc1OCc1coc(=O)o1
InChIInChI=1S/C10H9NO4.C7H11N5O/c11-8-3-1-2-4-9(8)13-5-7-6-14-10(12)15-7;8-3-6(13)11-5-2-1-4(9)7(10)12-5/h1-4,6H,5,11H2;1-2H,3,8-9H2,(H3,10,11,12,13)
InChIKeyDLXACICUOUFQTC-UHFFFAOYSA-N
MW388.38 g/mol
LogP0.54
Rot. Bonds5

About 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;4-[(2-aminophenoxy)methyl]-1,3-dioxol-2-one

2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;4-[(2-aminophenoxy)methyl]-1,3-dioxol-2-one (PubChem CID 164908857) has the molecular formula C17H20N6O5 and a molecular weight of 388.38 g/mol. Its IUPAC name is 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;4-[(2-aminophenoxy)methyl]-1,3-dioxol-2-one.

Molecular Properties

Compound Name2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;4-[(2-aminophenoxy)methyl]-1,3-dioxol-2-one
PubChem CID164908857
Molecular FormulaC17H20N6O5
Molecular Weight388.38 g/mol
Exact Mass388.15
IUPAC Name2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;4-[(2-aminophenoxy)methyl]-1,3-dioxol-2-one
SMILESNCC(=O)Nc1ccc(N)c(N)n1.Nc1ccccc1OCc1coc(=O)o1
InChIInChI=1S/C10H9NO4.C7H11N5O/c11-8-3-1-2-4-9(8)13-5-7-6-14-10(12)15-7;8-3-6(13)11-5-2-1-4(9)7(10)12-5/h1-4,6H,5,11H2;1-2H,3,8-9H2,(H3,10,11,12,13)
InChIKeyDLXACICUOUFQTC-UHFFFAOYSA-N
XLogP0.54
TPSA198.65 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 50.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;4-[(2-aminophenoxy)methyl]-1,3-dioxol-2-one with MolForge

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Related Compounds

2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;2-aminophenol;methanol;yttrium
CID 164909132
2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) 3-(dimethylamino)propanoate
CID 164909099
2-methoxyaniline;methyl N-(5,6-diamino-2-pyridinyl)carbamate
CID 164909161
3-amino-N-(5,6-diamino-2-pyridinyl)propanamide;(2-aminophenyl) 2-amino-3-methylbutanoate
CID 164909199
3-amino-N-(5,6-diamino-2-pyridinyl)propanamide;(2-aminophenyl) cyclopropanecarboxylate;ethane
CID 164908912
(2-aminophenyl) 2,3-dihydroxypropanoate;N-(5,6-diamino-2-pyridinyl)-2-(methylamino)acetamide
CID 164908700
3-amino-N-(5,6-diamino-2-pyridinyl)propanamide;1-(2-aminophenoxy)ethyl propan-2-yl carbonate;ethane
CID 164909252
CID 164909055
CID 164909055
2-amino-N-quinolin-2-ylacetamide
CID 54505370
2-(2-aminophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 16772949
[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] morpholine-4-carboxylate
CID 164909336
2-(2-aminophenoxy)-N-pyrimidin-2-ylacetamide
CID 24701689

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;4-[(2-aminophenoxy)methyl]-1,3-dioxol-2-one?
The IUPAC name of 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;4-[(2-aminophenoxy)methyl]-1,3-dioxol-2-one (CID 164908857) is 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;4-[(2-aminophenoxy)methyl]-1,3-dioxol-2-one.
What is the SMILES notation for 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;4-[(2-aminophenoxy)methyl]-1,3-dioxol-2-one?
The canonical SMILES for 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;4-[(2-aminophenoxy)methyl]-1,3-dioxol-2-one is NCC(=O)Nc1ccc(N)c(N)n1.Nc1ccccc1OCc1coc(=O)o1.
What is the InChIKey of 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;4-[(2-aminophenoxy)methyl]-1,3-dioxol-2-one?
The InChIKey is DLXACICUOUFQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4.C7H11N5O/c11-8-3-1-2-4-9(8)13-5-7-6-14-10(12)15-7;8-3-6(13)11-5-2-1-4(9)7(10)12-5/h1-4,6H,5,11H2;1-2H,3,8-9H2,(H3,10,11,12,13).
What are the key properties of 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;4-[(2-aminophenoxy)methyl]-1,3-dioxol-2-one?
2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;4-[(2-aminophenoxy)methyl]-1,3-dioxol-2-one has a molecular weight of 388.38 g/mol, XLogP of 0.54, 5 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;4-[(2-aminophenoxy)methyl]-1,3-dioxol-2-one is sourced from PubChem (CID 164908857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).