N-[(E)-(4-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide

C13H12N4O2 — CID 6863206

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cnccn2)cc1
InChIInChI=1S/C13H12N4O2/c1-19-11-4-2-10(3-5-11)8-16-17-13(18)12-9-14-6-7-15-12/h2-9H,1H3,(H,17,18)/b16-8+
InChIKeyWFEYHZSIMPCAHM-LZYBPNLTSA-N
MW256.26 g/mol
LogP1.25
Rot. Bonds4

About N-[(E)-(4-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide

N-[(E)-(4-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide (PubChem CID 6863206) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide
PubChem CID6863206
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cnccn2)cc1
InChIInChI=1S/C13H12N4O2/c1-19-11-4-2-10(3-5-11)8-16-17-13(18)12-9-14-6-7-15-12/h2-9H,1H3,(H,17,18)/b16-8+
InChIKeyWFEYHZSIMPCAHM-LZYBPNLTSA-N
XLogP1.25
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-[(E)-(4-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide (CID 6863206) is N-[(E)-(4-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide is COc1ccc(/C=N/NC(=O)c2cnccn2)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The InChIKey is WFEYHZSIMPCAHM-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-19-11-4-2-10(3-5-11)8-16-17-13(18)12-9-14-6-7-15-12/h2-9H,1H3,(H,17,18)/b16-8+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
N-[(E)-(4-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide has a molecular weight of 256.26 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 6863206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).