N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyrazine-2-carboxamide

C12H10N4O3 — CID 135635822

IUPACN-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyrazine-2-carboxamide
SMILESO=C(N/N=C/c1ccc(O)c(O)c1)c1cnccn1
InChIInChI=1S/C12H10N4O3/c17-10-2-1-8(5-11(10)18)6-15-16-12(19)9-7-13-3-4-14-9/h1-7,17-18H,(H,16,19)/b15-6+
InChIKeyRQMPTZCZXMCLRC-GIDUJCDVSA-N
MW258.24 g/mol
LogP0.65
Rot. Bonds3

About N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyrazine-2-carboxamide

N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyrazine-2-carboxamide (PubChem CID 135635822) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyrazine-2-carboxamide
PubChem CID135635822
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC NameN-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyrazine-2-carboxamide
SMILESO=C(N/N=C/c1ccc(O)c(O)c1)c1cnccn1
InChIInChI=1S/C12H10N4O3/c17-10-2-1-8(5-11(10)18)6-15-16-12(19)9-7-13-3-4-14-9/h1-7,17-18H,(H,16,19)/b15-6+
InChIKeyRQMPTZCZXMCLRC-GIDUJCDVSA-N
XLogP0.65
TPSA107.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide;hydrate
CID 139074065
N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide
CID 939997
N-[(2-hydroxy-4-methylphenyl)methylideneamino]pyrazine-2-carboxamide
CID 3450119
N-[(4-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 760521
N-[(E)-(3-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 44613929
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 950063
N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 6116232
N-[(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 847629
N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide
CID 6870358
4-N,5-N-bis[(3,4-dihydroxyphenyl)methylideneamino]-1H-imidazole-4,5-dicarboxamide
CID 4136570
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide;hydrate
CID 139076968
N-[(Z)-thiophen-2-ylmethylideneamino]pyrazine-2-carboxamide
CID 5395279

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The IUPAC name of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyrazine-2-carboxamide (CID 135635822) is N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyrazine-2-carboxamide is O=C(N/N=C/c1ccc(O)c(O)c1)c1cnccn1.
What is the InChIKey of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The InChIKey is RQMPTZCZXMCLRC-GIDUJCDVSA-N. The full InChI is InChI=1S/C12H10N4O3/c17-10-2-1-8(5-11(10)18)6-15-16-12(19)9-7-13-3-4-14-9/h1-7,17-18H,(H,16,19)/b15-6+.
What are the key properties of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyrazine-2-carboxamide?
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyrazine-2-carboxamide has a molecular weight of 258.24 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 135635822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).