2-amino-N-(2-amino-6-chloro-3-pyridinyl)acetamide

C7H9ClN4O — CID 163544169

IUPAC2-amino-N-(2-amino-6-chloro-3-pyridinyl)acetamide
SMILESNCC(=O)Nc1ccc(Cl)nc1N
InChIInChI=1S/C7H9ClN4O/c8-5-2-1-4(7(10)12-5)11-6(13)3-9/h1-2H,3,9H2,(H2,10,12)(H,11,13)
InChIKeyFDPKLHCSJUFBQM-UHFFFAOYSA-N
MW200.63 g/mol
LogP0.21
Rot. Bonds2

About 2-amino-N-(2-amino-6-chloro-3-pyridinyl)acetamide

2-amino-N-(2-amino-6-chloro-3-pyridinyl)acetamide (PubChem CID 163544169) has the molecular formula C7H9ClN4O and a molecular weight of 200.63 g/mol. Its IUPAC name is 2-amino-N-(2-amino-6-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2-amino-6-chloro-3-pyridinyl)acetamide
PubChem CID163544169
Molecular FormulaC7H9ClN4O
Molecular Weight200.63 g/mol
Exact Mass200.05
IUPAC Name2-amino-N-(2-amino-6-chloro-3-pyridinyl)acetamide
SMILESNCC(=O)Nc1ccc(Cl)nc1N
InChIInChI=1S/C7H9ClN4O/c8-5-2-1-4(7(10)12-5)11-6(13)3-9/h1-2H,3,9H2,(H2,10,12)(H,11,13)
InChIKeyFDPKLHCSJUFBQM-UHFFFAOYSA-N
XLogP0.21
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-6-chloro-3-pyridinyl)acetamide?
The IUPAC name of 2-amino-N-(2-amino-6-chloro-3-pyridinyl)acetamide (CID 163544169) is 2-amino-N-(2-amino-6-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-amino-N-(2-amino-6-chloro-3-pyridinyl)acetamide?
The canonical SMILES for 2-amino-N-(2-amino-6-chloro-3-pyridinyl)acetamide is NCC(=O)Nc1ccc(Cl)nc1N.
What is the InChIKey of 2-amino-N-(2-amino-6-chloro-3-pyridinyl)acetamide?
The InChIKey is FDPKLHCSJUFBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4O/c8-5-2-1-4(7(10)12-5)11-6(13)3-9/h1-2H,3,9H2,(H2,10,12)(H,11,13).
What are the key properties of 2-amino-N-(2-amino-6-chloro-3-pyridinyl)acetamide?
2-amino-N-(2-amino-6-chloro-3-pyridinyl)acetamide has a molecular weight of 200.63 g/mol, XLogP of 0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-6-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 163544169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).