3-acetamido-N-(diaminomethylidene)-6-(dimethylamino)pyrazine-2-carboxamide

C10H15N7O2 — CID 161207046

IUPAC3-acetamido-N-(diaminomethylidene)-6-(dimethylamino)pyrazine-2-carboxamide
SMILESCC(=O)Nc1ncc(N(C)C)nc1C(=O)N=C(N)N
InChIInChI=1S/C10H15N7O2/c1-5(18)14-8-7(9(19)16-10(11)12)15-6(4-13-8)17(2)3/h4H,1-3H3,(H,13,14,18)(H4,11,12,16,19)
InChIKeyQTOKDFQCLVCBLY-UHFFFAOYSA-N
MW265.28 g/mol
LogP-1.09
Rot. Bonds3

About 3-acetamido-N-(diaminomethylidene)-6-(dimethylamino)pyrazine-2-carboxamide

3-acetamido-N-(diaminomethylidene)-6-(dimethylamino)pyrazine-2-carboxamide (PubChem CID 161207046) has the molecular formula C10H15N7O2 and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-acetamido-N-(diaminomethylidene)-6-(dimethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-acetamido-N-(diaminomethylidene)-6-(dimethylamino)pyrazine-2-carboxamide
PubChem CID161207046
Molecular FormulaC10H15N7O2
Molecular Weight265.28 g/mol
Exact Mass265.13
IUPAC Name3-acetamido-N-(diaminomethylidene)-6-(dimethylamino)pyrazine-2-carboxamide
SMILESCC(=O)Nc1ncc(N(C)C)nc1C(=O)N=C(N)N
InChIInChI=1S/C10H15N7O2/c1-5(18)14-8-7(9(19)16-10(11)12)15-6(4-13-8)17(2)3/h4H,1-3H3,(H,13,14,18)(H4,11,12,16,19)
InChIKeyQTOKDFQCLVCBLY-UHFFFAOYSA-N
XLogP-1.09
TPSA139.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 5-1.09
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(diaminomethylidene)-6-(dimethylamino)pyrazine-2-carboxamide?
The IUPAC name of 3-acetamido-N-(diaminomethylidene)-6-(dimethylamino)pyrazine-2-carboxamide (CID 161207046) is 3-acetamido-N-(diaminomethylidene)-6-(dimethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 3-acetamido-N-(diaminomethylidene)-6-(dimethylamino)pyrazine-2-carboxamide?
The canonical SMILES for 3-acetamido-N-(diaminomethylidene)-6-(dimethylamino)pyrazine-2-carboxamide is CC(=O)Nc1ncc(N(C)C)nc1C(=O)N=C(N)N.
What is the InChIKey of 3-acetamido-N-(diaminomethylidene)-6-(dimethylamino)pyrazine-2-carboxamide?
The InChIKey is QTOKDFQCLVCBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O2/c1-5(18)14-8-7(9(19)16-10(11)12)15-6(4-13-8)17(2)3/h4H,1-3H3,(H,13,14,18)(H4,11,12,16,19).
What are the key properties of 3-acetamido-N-(diaminomethylidene)-6-(dimethylamino)pyrazine-2-carboxamide?
3-acetamido-N-(diaminomethylidene)-6-(dimethylamino)pyrazine-2-carboxamide has a molecular weight of 265.28 g/mol, XLogP of -1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(diaminomethylidene)-6-(dimethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 161207046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).