2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;2-aminophenol;methanol;yttrium

C15H26N6O4Y — CID 164909132

IUPAC2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;2-aminophenol;methanol;yttrium
SMILESCO.CO.NCC(=O)Nc1ccc(N)c(N)n1.Nc1ccccc1O.[Y]
InChIInChI=1S/C7H11N5O.C6H7NO.2CH4O.Y/c8-3-6(13)11-5-2-1-4(9)7(10)12-5;7-5-3-1-2-4-6(5)8;2*1-2;/h1-2H,3,8-9H2,(H3,10,11,12,13);1-4,8H,7H2;2*2H,1H3;
InChIKeyOADJLEHOMYLYJY-UHFFFAOYSA-N
MW443.32 g/mol
LogP-0.67
Rot. Bonds2

About 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;2-aminophenol;methanol;yttrium

2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;2-aminophenol;methanol;yttrium (PubChem CID 164909132) has the molecular formula C15H26N6O4Y and a molecular weight of 443.32 g/mol. Its IUPAC name is 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;2-aminophenol;methanol;yttrium.

Molecular Properties

Compound Name2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;2-aminophenol;methanol;yttrium
PubChem CID164909132
Molecular FormulaC15H26N6O4Y
Molecular Weight443.32 g/mol
Exact Mass443.11
IUPAC Name2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;2-aminophenol;methanol;yttrium
SMILESCO.CO.NCC(=O)Nc1ccc(N)c(N)n1.Nc1ccccc1O.[Y]
InChIInChI=1S/C7H11N5O.C6H7NO.2CH4O.Y/c8-3-6(13)11-5-2-1-4(9)7(10)12-5;7-5-3-1-2-4-6(5)8;2*1-2;/h1-2H,3,8-9H2,(H3,10,11,12,13);1-4,8H,7H2;2*2H,1H3;
InChIKeyOADJLEHOMYLYJY-UHFFFAOYSA-N
XLogP-0.67
TPSA206.76 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.32
LogP ≤ 5-0.67
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) 3-(dimethylamino)propanoate
CID 164909099
2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;4-[(2-aminophenoxy)methyl]-1,3-dioxol-2-one
CID 164908857
(2-aminophenyl) 2,3-dihydroxypropanoate;N-(5,6-diamino-2-pyridinyl)-2-(methylamino)acetamide
CID 164908700
2-methoxyaniline;methyl N-(5,6-diamino-2-pyridinyl)carbamate
CID 164909161
2-amino-N-quinolin-2-ylacetamide
CID 54505370
3-amino-N-(5,6-diamino-2-pyridinyl)propanamide;(2-aminophenyl) 2-amino-3-methylbutanoate
CID 164909199
N-(5,6-diamino-2-pyridinyl)-2-formamidoacetamide
CID 164909065
3-amino-N-(5,6-diamino-2-pyridinyl)propanamide;(2-aminophenyl) cyclopropanecarboxylate;ethane
CID 164908912
2-[[(5,6-diamino-2-pyridinyl)amino]methyl]phenol
CID 10036825
3-amino-N-(5,6-diamino-2-pyridinyl)propanamide;1-(2-aminophenoxy)ethyl propan-2-yl carbonate;ethane
CID 164909252
2-amino-N-[6-(aminomethyl)-2-pyridinyl]acetamide
CID 83618831
2,6-diamino-N-(5,6-diamino-2-pyridinyl)hexanamide
CID 164908599

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;2-aminophenol;methanol;yttrium?
The IUPAC name of 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;2-aminophenol;methanol;yttrium (CID 164909132) is 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;2-aminophenol;methanol;yttrium.
What is the SMILES notation for 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;2-aminophenol;methanol;yttrium?
The canonical SMILES for 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;2-aminophenol;methanol;yttrium is CO.CO.NCC(=O)Nc1ccc(N)c(N)n1.Nc1ccccc1O.[Y].
What is the InChIKey of 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;2-aminophenol;methanol;yttrium?
The InChIKey is OADJLEHOMYLYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O.C6H7NO.2CH4O.Y/c8-3-6(13)11-5-2-1-4(9)7(10)12-5;7-5-3-1-2-4-6(5)8;2*1-2;/h1-2H,3,8-9H2,(H3,10,11,12,13);1-4,8H,7H2;2*2H,1H3;.
What are the key properties of 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;2-aminophenol;methanol;yttrium?
2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;2-aminophenol;methanol;yttrium has a molecular weight of 443.32 g/mol, XLogP of -0.67, 2 rotatable bonds, 8 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-aminophenol;methanol;yttrium is sourced from PubChem (CID 164909132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).