5-amino-N'-[(Z)-[(3Z)-1-amino-2-methyliminohexa-3,5-dienylidene]amino]pyridine-2-carboximidamide;ethane

C15H23N7 — CID 153371129

IUPAC5-amino-N'-[(Z)-[(3Z)-1-amino-2-methyliminohexa-3,5-dienylidene]amino]pyridine-2-carboximidamide;ethane
SMILESC=C/C=C\C(=N/C)\C(N)=N\N=C(/N)c1ccc(N)cn1.CC
InChIInChI=1S/C13H17N7.C2H6/c1-3-4-5-10(17-2)12(15)19-20-13(16)11-7-6-9(14)8-18-11;1-2/h3-8H,1,14H2,2H3,(H2,15,19)(H2,16,20);1-2H3/b5-4-,17-10+;
InChIKeyWMJZZZIXZOPUIF-YXOLVOAOSA-N
MW301.40 g/mol
LogP1.48
Rot. Bonds5

About 5-amino-N'-[(Z)-[(3Z)-1-amino-2-methyliminohexa-3,5-dienylidene]amino]pyridine-2-carboximidamide;ethane

5-amino-N'-[(Z)-[(3Z)-1-amino-2-methyliminohexa-3,5-dienylidene]amino]pyridine-2-carboximidamide;ethane (PubChem CID 153371129) has the molecular formula C15H23N7 and a molecular weight of 301.40 g/mol. Its IUPAC name is 5-amino-N'-[(Z)-[(3Z)-1-amino-2-methyliminohexa-3,5-dienylidene]amino]pyridine-2-carboximidamide;ethane.

Molecular Properties

Compound Name5-amino-N'-[(Z)-[(3Z)-1-amino-2-methyliminohexa-3,5-dienylidene]amino]pyridine-2-carboximidamide;ethane
PubChem CID153371129
Molecular FormulaC15H23N7
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC Name5-amino-N'-[(Z)-[(3Z)-1-amino-2-methyliminohexa-3,5-dienylidene]amino]pyridine-2-carboximidamide;ethane
SMILESC=C/C=C\C(=N/C)\C(N)=N\N=C(/N)c1ccc(N)cn1.CC
InChIInChI=1S/C13H17N7.C2H6/c1-3-4-5-10(17-2)12(15)19-20-13(16)11-7-6-9(14)8-18-11;1-2/h3-8H,1,14H2,2H3,(H2,15,19)(H2,16,20);1-2H3/b5-4-,17-10+;
InChIKeyWMJZZZIXZOPUIF-YXOLVOAOSA-N
XLogP1.48
TPSA128.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N'-[(Z)-[(3Z)-1-amino-2-methyliminohexa-3,5-dienylidene]amino]pyridine-2-carboximidamide;ethane?
The IUPAC name of 5-amino-N'-[(Z)-[(3Z)-1-amino-2-methyliminohexa-3,5-dienylidene]amino]pyridine-2-carboximidamide;ethane (CID 153371129) is 5-amino-N'-[(Z)-[(3Z)-1-amino-2-methyliminohexa-3,5-dienylidene]amino]pyridine-2-carboximidamide;ethane.
What is the SMILES notation for 5-amino-N'-[(Z)-[(3Z)-1-amino-2-methyliminohexa-3,5-dienylidene]amino]pyridine-2-carboximidamide;ethane?
The canonical SMILES for 5-amino-N'-[(Z)-[(3Z)-1-amino-2-methyliminohexa-3,5-dienylidene]amino]pyridine-2-carboximidamide;ethane is C=C/C=C\C(=N/C)\C(N)=N\N=C(/N)c1ccc(N)cn1.CC.
What is the InChIKey of 5-amino-N'-[(Z)-[(3Z)-1-amino-2-methyliminohexa-3,5-dienylidene]amino]pyridine-2-carboximidamide;ethane?
The InChIKey is WMJZZZIXZOPUIF-YXOLVOAOSA-N. The full InChI is InChI=1S/C13H17N7.C2H6/c1-3-4-5-10(17-2)12(15)19-20-13(16)11-7-6-9(14)8-18-11;1-2/h3-8H,1,14H2,2H3,(H2,15,19)(H2,16,20);1-2H3/b5-4-,17-10+;.
What are the key properties of 5-amino-N'-[(Z)-[(3Z)-1-amino-2-methyliminohexa-3,5-dienylidene]amino]pyridine-2-carboximidamide;ethane?
5-amino-N'-[(Z)-[(3Z)-1-amino-2-methyliminohexa-3,5-dienylidene]amino]pyridine-2-carboximidamide;ethane has a molecular weight of 301.40 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N'-[(Z)-[(3Z)-1-amino-2-methyliminohexa-3,5-dienylidene]amino]pyridine-2-carboximidamide;ethane is sourced from PubChem (CID 153371129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).