[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-aminopropanoate

C16H19N7O3 — CID 164908588

IUPAC[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)Oc1ccccc1/N=N/c1ccc(NC(=O)CN)nc1N
InChIInChI=1S/C16H19N7O3/c1-9(18)16(25)26-12-5-3-2-4-10(12)22-23-11-6-7-13(21-15(11)19)20-14(24)8-17/h2-7,9H,8,17-18H2,1H3,(H3,19,20,21,24)/b23-22+/t9-/m0/s1
InChIKeySJHLSGNCCPIVBJ-FUWUYMEBSA-N
MW357.37 g/mol
LogP1.23
Rot. Bonds6

About [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-aminopropanoate

[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-aminopropanoate (PubChem CID 164908588) has the molecular formula C16H19N7O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-aminopropanoate.

Molecular Properties

Compound Name[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-aminopropanoate
PubChem CID164908588
Molecular FormulaC16H19N7O3
Molecular Weight357.37 g/mol
Exact Mass357.15
IUPAC Name[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)Oc1ccccc1/N=N/c1ccc(NC(=O)CN)nc1N
InChIInChI=1S/C16H19N7O3/c1-9(18)16(25)26-12-5-3-2-4-10(12)22-23-11-6-7-13(21-15(11)19)20-14(24)8-17/h2-7,9H,8,17-18H2,1H3,(H3,19,20,21,24)/b23-22+/t9-/m0/s1
InChIKeySJHLSGNCCPIVBJ-FUWUYMEBSA-N
XLogP1.23
TPSA171.07 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-aminopropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-aminopropanoate?
The IUPAC name of [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-aminopropanoate (CID 164908588) is [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-aminopropanoate.
What is the SMILES notation for [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-aminopropanoate?
The canonical SMILES for [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-aminopropanoate is C[C@H](N)C(=O)Oc1ccccc1/N=N/c1ccc(NC(=O)CN)nc1N.
What is the InChIKey of [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-aminopropanoate?
The InChIKey is SJHLSGNCCPIVBJ-FUWUYMEBSA-N. The full InChI is InChI=1S/C16H19N7O3/c1-9(18)16(25)26-12-5-3-2-4-10(12)22-23-11-6-7-13(21-15(11)19)20-14(24)8-17/h2-7,9H,8,17-18H2,1H3,(H3,19,20,21,24)/b23-22+/t9-/m0/s1.
What are the key properties of [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-aminopropanoate?
[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-aminopropanoate has a molecular weight of 357.37 g/mol, XLogP of 1.23, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-aminopropanoate is sourced from PubChem (CID 164908588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).