2-amino-2-(6-cyano-3-pyridinyl)-N-(diaminomethylidene)acetamide

C9H10N6O — CID 154726104

IUPAC2-amino-2-(6-cyano-3-pyridinyl)-N-(diaminomethylidene)acetamide
SMILESN#Cc1ccc(C(N)C(=O)N=C(N)N)cn1
InChIInChI=1S/C9H10N6O/c10-3-6-2-1-5(4-14-6)7(11)8(16)15-9(12)13/h1-2,4,7H,11H2,(H4,12,13,15,16)
InChIKeyGNJOWKTXFSHWBI-UHFFFAOYSA-N
MW218.22 g/mol
LogP-1.25
Rot. Bonds2

About 2-amino-2-(6-cyano-3-pyridinyl)-N-(diaminomethylidene)acetamide

2-amino-2-(6-cyano-3-pyridinyl)-N-(diaminomethylidene)acetamide (PubChem CID 154726104) has the molecular formula C9H10N6O and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-amino-2-(6-cyano-3-pyridinyl)-N-(diaminomethylidene)acetamide.

Molecular Properties

Compound Name2-amino-2-(6-cyano-3-pyridinyl)-N-(diaminomethylidene)acetamide
PubChem CID154726104
Molecular FormulaC9H10N6O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name2-amino-2-(6-cyano-3-pyridinyl)-N-(diaminomethylidene)acetamide
SMILESN#Cc1ccc(C(N)C(=O)N=C(N)N)cn1
InChIInChI=1S/C9H10N6O/c10-3-6-2-1-5(4-14-6)7(11)8(16)15-9(12)13/h1-2,4,7H,11H2,(H4,12,13,15,16)
InChIKeyGNJOWKTXFSHWBI-UHFFFAOYSA-N
XLogP-1.25
TPSA144.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6-cyano-3-pyridinyl)-N-(diaminomethylidene)acetamide?
The IUPAC name of 2-amino-2-(6-cyano-3-pyridinyl)-N-(diaminomethylidene)acetamide (CID 154726104) is 2-amino-2-(6-cyano-3-pyridinyl)-N-(diaminomethylidene)acetamide.
What is the SMILES notation for 2-amino-2-(6-cyano-3-pyridinyl)-N-(diaminomethylidene)acetamide?
The canonical SMILES for 2-amino-2-(6-cyano-3-pyridinyl)-N-(diaminomethylidene)acetamide is N#Cc1ccc(C(N)C(=O)N=C(N)N)cn1.
What is the InChIKey of 2-amino-2-(6-cyano-3-pyridinyl)-N-(diaminomethylidene)acetamide?
The InChIKey is GNJOWKTXFSHWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O/c10-3-6-2-1-5(4-14-6)7(11)8(16)15-9(12)13/h1-2,4,7H,11H2,(H4,12,13,15,16).
What are the key properties of 2-amino-2-(6-cyano-3-pyridinyl)-N-(diaminomethylidene)acetamide?
2-amino-2-(6-cyano-3-pyridinyl)-N-(diaminomethylidene)acetamide has a molecular weight of 218.22 g/mol, XLogP of -1.25, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6-cyano-3-pyridinyl)-N-(diaminomethylidene)acetamide is sourced from PubChem (CID 154726104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).