[(3-carbamoyl-1H-indol-2-yl)-(5,6-dimethylidenepyrazin-2-yl)methylidene]azanide

C16H12N5O- — CID 163742109

IUPAC[(3-carbamoyl-1H-indol-2-yl)-(5,6-dimethylidenepyrazin-2-yl)methylidene]azanide
SMILESC=c1ncc(C(=[N-])c2[nH]c3ccccc3c2C(N)=O)nc1=C
InChIInChI=1S/C16H12N5O/c1-8-9(2)20-12(7-19-8)14(17)15-13(16(18)22)10-5-3-4-6-11(10)21-15/h3-7,21H,1-2H2,(H2,18,22)/q-1
InChIKeyLIQPAOLVSDOVKH-UHFFFAOYSA-N
MW290.31 g/mol
LogP0.28
Rot. Bonds3

About [(3-carbamoyl-1H-indol-2-yl)-(5,6-dimethylidenepyrazin-2-yl)methylidene]azanide

[(3-carbamoyl-1H-indol-2-yl)-(5,6-dimethylidenepyrazin-2-yl)methylidene]azanide (PubChem CID 163742109) has the molecular formula C16H12N5O- and a molecular weight of 290.31 g/mol. Its IUPAC name is [(3-carbamoyl-1H-indol-2-yl)-(5,6-dimethylidenepyrazin-2-yl)methylidene]azanide.

Molecular Properties

Compound Name[(3-carbamoyl-1H-indol-2-yl)-(5,6-dimethylidenepyrazin-2-yl)methylidene]azanide
PubChem CID163742109
Molecular FormulaC16H12N5O-
Molecular Weight290.31 g/mol
Exact Mass290.10
IUPAC Name[(3-carbamoyl-1H-indol-2-yl)-(5,6-dimethylidenepyrazin-2-yl)methylidene]azanide
SMILESC=c1ncc(C(=[N-])c2[nH]c3ccccc3c2C(N)=O)nc1=C
InChIInChI=1S/C16H12N5O/c1-8-9(2)20-12(7-19-8)14(17)15-13(16(18)22)10-5-3-4-6-11(10)21-15/h3-7,21H,1-2H2,(H2,18,22)/q-1
InChIKeyLIQPAOLVSDOVKH-UHFFFAOYSA-N
XLogP0.28
TPSA106.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3-carbamoyl-1H-indol-2-yl)-(5,6-dimethylidenepyrazin-2-yl)methylidene]azanide?
The IUPAC name of [(3-carbamoyl-1H-indol-2-yl)-(5,6-dimethylidenepyrazin-2-yl)methylidene]azanide (CID 163742109) is [(3-carbamoyl-1H-indol-2-yl)-(5,6-dimethylidenepyrazin-2-yl)methylidene]azanide.
What is the SMILES notation for [(3-carbamoyl-1H-indol-2-yl)-(5,6-dimethylidenepyrazin-2-yl)methylidene]azanide?
The canonical SMILES for [(3-carbamoyl-1H-indol-2-yl)-(5,6-dimethylidenepyrazin-2-yl)methylidene]azanide is C=c1ncc(C(=[N-])c2[nH]c3ccccc3c2C(N)=O)nc1=C.
What is the InChIKey of [(3-carbamoyl-1H-indol-2-yl)-(5,6-dimethylidenepyrazin-2-yl)methylidene]azanide?
The InChIKey is LIQPAOLVSDOVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N5O/c1-8-9(2)20-12(7-19-8)14(17)15-13(16(18)22)10-5-3-4-6-11(10)21-15/h3-7,21H,1-2H2,(H2,18,22)/q-1.
What are the key properties of [(3-carbamoyl-1H-indol-2-yl)-(5,6-dimethylidenepyrazin-2-yl)methylidene]azanide?
[(3-carbamoyl-1H-indol-2-yl)-(5,6-dimethylidenepyrazin-2-yl)methylidene]azanide has a molecular weight of 290.31 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-carbamoyl-1H-indol-2-yl)-(5,6-dimethylidenepyrazin-2-yl)methylidene]azanide is sourced from PubChem (CID 163742109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).