N-[[(2-acetamidoacetyl)amino]-aminomethylidene]-3,5-diamino-6-chloropyrazine-2-carboxamide

C10H13ClN8O3 — CID 58089184

IUPACN-[[(2-acetamidoacetyl)amino]-aminomethylidene]-3,5-diamino-6-chloropyrazine-2-carboxamide
SMILESCC(=O)NCC(=O)N/C(N)=N/C(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C10H13ClN8O3/c1-3(20)15-2-4(21)16-10(14)19-9(22)5-7(12)18-8(13)6(11)17-5/h2H2,1H3,(H,15,20)(H4,12,13,18)(H3,14,16,19,21,22)
InChIKeyGDUPXFKRTFNESA-UHFFFAOYSA-N
MW328.72 g/mol
LogP-2.00
Rot. Bonds3

About N-[[(2-acetamidoacetyl)amino]-aminomethylidene]-3,5-diamino-6-chloropyrazine-2-carboxamide

N-[[(2-acetamidoacetyl)amino]-aminomethylidene]-3,5-diamino-6-chloropyrazine-2-carboxamide (PubChem CID 58089184) has the molecular formula C10H13ClN8O3 and a molecular weight of 328.72 g/mol. Its IUPAC name is N-[[(2-acetamidoacetyl)amino]-aminomethylidene]-3,5-diamino-6-chloropyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[(2-acetamidoacetyl)amino]-aminomethylidene]-3,5-diamino-6-chloropyrazine-2-carboxamide
PubChem CID58089184
Molecular FormulaC10H13ClN8O3
Molecular Weight328.72 g/mol
Exact Mass328.08
IUPAC NameN-[[(2-acetamidoacetyl)amino]-aminomethylidene]-3,5-diamino-6-chloropyrazine-2-carboxamide
SMILESCC(=O)NCC(=O)N/C(N)=N/C(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C10H13ClN8O3/c1-3(20)15-2-4(21)16-10(14)19-9(22)5-7(12)18-8(13)6(11)17-5/h2H2,1H3,(H,15,20)(H4,12,13,18)(H3,14,16,19,21,22)
InChIKeyGDUPXFKRTFNESA-UHFFFAOYSA-N
XLogP-2.00
TPSA191.47 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.72
LogP ≤ 5-2.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[amino-(propanoylamino)methylidene]-6-chloro-5-(methylamino)pyrazine-2-carboxamide
CID 88911387
CID 58385786
CID 58385786
CID 58385780
CID 58385780
3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;methanesulfonic acid
CID 175022867
3,5-diamino-N-[amino-(1H-imidazole-2-carbonylamino)methylidene]-6-chloropyrazine-2-carboxamide
CID 88807331
3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 25191031
3,5-diamino-6-chloropyrazine-2-carboxamide
CID 604343
3,5-diamino-N-[N'-[12-(1-aminoethylideneamino)dodecyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;dihydrochloride
CID 159356412
3,5-diamino-6-chloro-N-[N'-(2-hydroxyethyl)carbamimidoyl]pyrazine-2-carboxamide;hydrobromide
CID 162336366
3,5-diamino-6-chloro-N-[2-(diaminomethylideneamino)ethyl]pyrazine-2-carboxamide
CID 14406036
3,5-diamino-N-[N'-[6-[3-(1-aminoethylideneamino)propanoylamino]hexyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 59714691
3,5-diamino-N-[N'-[2-[bis[2-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]ethyl]amino]ethyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 24739919

Frequently Asked Questions

What is the IUPAC name of N-[[(2-acetamidoacetyl)amino]-aminomethylidene]-3,5-diamino-6-chloropyrazine-2-carboxamide?
The IUPAC name of N-[[(2-acetamidoacetyl)amino]-aminomethylidene]-3,5-diamino-6-chloropyrazine-2-carboxamide (CID 58089184) is N-[[(2-acetamidoacetyl)amino]-aminomethylidene]-3,5-diamino-6-chloropyrazine-2-carboxamide.
What is the SMILES notation for N-[[(2-acetamidoacetyl)amino]-aminomethylidene]-3,5-diamino-6-chloropyrazine-2-carboxamide?
The canonical SMILES for N-[[(2-acetamidoacetyl)amino]-aminomethylidene]-3,5-diamino-6-chloropyrazine-2-carboxamide is CC(=O)NCC(=O)N/C(N)=N/C(=O)c1nc(Cl)c(N)nc1N.
What is the InChIKey of N-[[(2-acetamidoacetyl)amino]-aminomethylidene]-3,5-diamino-6-chloropyrazine-2-carboxamide?
The InChIKey is GDUPXFKRTFNESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN8O3/c1-3(20)15-2-4(21)16-10(14)19-9(22)5-7(12)18-8(13)6(11)17-5/h2H2,1H3,(H,15,20)(H4,12,13,18)(H3,14,16,19,21,22).
What are the key properties of N-[[(2-acetamidoacetyl)amino]-aminomethylidene]-3,5-diamino-6-chloropyrazine-2-carboxamide?
N-[[(2-acetamidoacetyl)amino]-aminomethylidene]-3,5-diamino-6-chloropyrazine-2-carboxamide has a molecular weight of 328.72 g/mol, XLogP of -2.00, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2-acetamidoacetyl)amino]-aminomethylidene]-3,5-diamino-6-chloropyrazine-2-carboxamide is sourced from PubChem (CID 58089184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).