2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) 3-(dimethylamino)propanoate

C18H27N7O3 — CID 164909099

IUPAC2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) 3-(dimethylamino)propanoate
SMILESCN(C)CCC(=O)Oc1ccccc1N.NCC(=O)Nc1ccc(N)c(N)n1
InChIInChI=1S/C11H16N2O2.C7H11N5O/c1-13(2)8-7-11(14)15-10-6-4-3-5-9(10)12;8-3-6(13)11-5-2-1-4(9)7(10)12-5/h3-6H,7-8,12H2,1-2H3;1-2H,3,8-9H2,(H3,10,11,12,13)
InChIKeyDOFHJOOTECGJJU-UHFFFAOYSA-N
MW389.46 g/mol
LogP0.27
Rot. Bonds6

About 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) 3-(dimethylamino)propanoate

2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) 3-(dimethylamino)propanoate (PubChem CID 164909099) has the molecular formula C18H27N7O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) 3-(dimethylamino)propanoate.

Molecular Properties

Compound Name2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) 3-(dimethylamino)propanoate
PubChem CID164909099
Molecular FormulaC18H27N7O3
Molecular Weight389.46 g/mol
Exact Mass389.22
IUPAC Name2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) 3-(dimethylamino)propanoate
SMILESCN(C)CCC(=O)Oc1ccccc1N.NCC(=O)Nc1ccc(N)c(N)n1
InChIInChI=1S/C11H16N2O2.C7H11N5O/c1-13(2)8-7-11(14)15-10-6-4-3-5-9(10)12;8-3-6(13)11-5-2-1-4(9)7(10)12-5/h3-6H,7-8,12H2,1-2H3;1-2H,3,8-9H2,(H3,10,11,12,13)
InChIKeyDOFHJOOTECGJJU-UHFFFAOYSA-N
XLogP0.27
TPSA175.61 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 50.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) 3-(dimethylamino)propanoate 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

3-amino-N-(5,6-diamino-2-pyridinyl)propanamide;(2-aminophenyl) 2-amino-3-methylbutanoate
CID 164909199
2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;2-aminophenol;methanol;yttrium
CID 164909132
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
2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;4-[(2-aminophenoxy)methyl]-1,3-dioxol-2-one
CID 164908857
2-methoxyaniline;methyl N-(5,6-diamino-2-pyridinyl)carbamate
CID 164909161
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-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-3-hydroxy-2-methylpropanoate
CID 174261142
2-amino-N-quinolin-2-ylacetamide
CID 54505370
1-(2-aminophenoxy)ethyl propan-2-yl carbonate;2,6-diamino-N-(5,6-diamino-2-pyridinyl)hexanamide
CID 164909178
N-[4-[(2-aminoacetyl)amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride
CID 119868276

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) 3-(dimethylamino)propanoate?
The IUPAC name of 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) 3-(dimethylamino)propanoate (CID 164909099) is 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) 3-(dimethylamino)propanoate.
What is the SMILES notation for 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) 3-(dimethylamino)propanoate?
The canonical SMILES for 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) 3-(dimethylamino)propanoate is CN(C)CCC(=O)Oc1ccccc1N.NCC(=O)Nc1ccc(N)c(N)n1.
What is the InChIKey of 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) 3-(dimethylamino)propanoate?
The InChIKey is DOFHJOOTECGJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.C7H11N5O/c1-13(2)8-7-11(14)15-10-6-4-3-5-9(10)12;8-3-6(13)11-5-2-1-4(9)7(10)12-5/h3-6H,7-8,12H2,1-2H3;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;(2-aminophenyl) 3-(dimethylamino)propanoate?
2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) 3-(dimethylamino)propanoate has a molecular weight of 389.46 g/mol, XLogP of 0.27, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) 3-(dimethylamino)propanoate is sourced from PubChem (CID 164909099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).