N-(3-methylidene-4-pyridinylidene)methanimidamide

C7H7N3 — CID 148619393

IUPACN-(3-methylidene-4-pyridinylidene)methanimidamide
SMILES[H]/N=C/N=C1\C=CN=CC1=C
InChIInChI=1S/C7H7N3/c1-6-4-9-3-2-7(6)10-5-8/h2-5,8H,1H2/b8-5+,10-7+
InChIKeyNFYWTYFPJAZOHL-FQOLVZPASA-N
MW133.15 g/mol
LogP1.19
Rot. Bonds1

About N-(3-methylidene-4-pyridinylidene)methanimidamide

N-(3-methylidene-4-pyridinylidene)methanimidamide (PubChem CID 148619393) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is N-(3-methylidene-4-pyridinylidene)methanimidamide.

Molecular Properties

Compound NameN-(3-methylidene-4-pyridinylidene)methanimidamide
PubChem CID148619393
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC NameN-(3-methylidene-4-pyridinylidene)methanimidamide
SMILES[H]/N=C/N=C1\C=CN=CC1=C
InChIInChI=1S/C7H7N3/c1-6-4-9-3-2-7(6)10-5-8/h2-5,8H,1H2/b8-5+,10-7+
InChIKeyNFYWTYFPJAZOHL-FQOLVZPASA-N
XLogP1.19
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(3-methylidene-4-pyridinylidene)methanimidamide?
The IUPAC name of N-(3-methylidene-4-pyridinylidene)methanimidamide (CID 148619393) is N-(3-methylidene-4-pyridinylidene)methanimidamide.
What is the SMILES notation for N-(3-methylidene-4-pyridinylidene)methanimidamide?
The canonical SMILES for N-(3-methylidene-4-pyridinylidene)methanimidamide is [H]/N=C/N=C1\C=CN=CC1=C.
What is the InChIKey of N-(3-methylidene-4-pyridinylidene)methanimidamide?
The InChIKey is NFYWTYFPJAZOHL-FQOLVZPASA-N. The full InChI is InChI=1S/C7H7N3/c1-6-4-9-3-2-7(6)10-5-8/h2-5,8H,1H2/b8-5+,10-7+.
What are the key properties of N-(3-methylidene-4-pyridinylidene)methanimidamide?
N-(3-methylidene-4-pyridinylidene)methanimidamide has a molecular weight of 133.15 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylidene-4-pyridinylidene)methanimidamide is sourced from PubChem (CID 148619393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).