methyl 2-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]pyridine-4-carboximidate

C10H14N6O — CID 14950597

IUPACmethyl 2-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]pyridine-4-carboximidate
SMILES[H]/N=C(\OC)c1ccnc(/C(C)=N/N=C(N)N)c1
InChIInChI=1S/C10H14N6O/c1-6(15-16-10(12)13)8-5-7(3-4-14-8)9(11)17-2/h3-5,11H,1-2H3,(H4,12,13,16)/b11-9-,15-6+
InChIKeyVZWCRICLAGXDEI-HUPLODRASA-N
MW234.26 g/mol
LogP0.05
Rot. Bonds3

About methyl 2-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]pyridine-4-carboximidate

methyl 2-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]pyridine-4-carboximidate (PubChem CID 14950597) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is methyl 2-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]pyridine-4-carboximidate.

Molecular Properties

Compound Namemethyl 2-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]pyridine-4-carboximidate
PubChem CID14950597
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Namemethyl 2-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]pyridine-4-carboximidate
SMILES[H]/N=C(\OC)c1ccnc(/C(C)=N/N=C(N)N)c1
InChIInChI=1S/C10H14N6O/c1-6(15-16-10(12)13)8-5-7(3-4-14-8)9(11)17-2/h3-5,11H,1-2H3,(H4,12,13,16)/b11-9-,15-6+
InChIKeyVZWCRICLAGXDEI-HUPLODRASA-N
XLogP0.05
TPSA122.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.05
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]pyridine-4-carboximidate?
The IUPAC name of methyl 2-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]pyridine-4-carboximidate (CID 14950597) is methyl 2-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]pyridine-4-carboximidate.
What is the SMILES notation for methyl 2-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]pyridine-4-carboximidate?
The canonical SMILES for methyl 2-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]pyridine-4-carboximidate is [H]/N=C(\OC)c1ccnc(/C(C)=N/N=C(N)N)c1.
What is the InChIKey of methyl 2-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]pyridine-4-carboximidate?
The InChIKey is VZWCRICLAGXDEI-HUPLODRASA-N. The full InChI is InChI=1S/C10H14N6O/c1-6(15-16-10(12)13)8-5-7(3-4-14-8)9(11)17-2/h3-5,11H,1-2H3,(H4,12,13,16)/b11-9-,15-6+.
What are the key properties of methyl 2-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]pyridine-4-carboximidate?
methyl 2-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]pyridine-4-carboximidate has a molecular weight of 234.26 g/mol, XLogP of 0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]pyridine-4-carboximidate is sourced from PubChem (CID 14950597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).