N-[(2-hydroxy-4-methylphenyl)methylideneamino]pyrazine-2-carboxamide

C13H12N4O2 — CID 3450119

IUPACN-[(2-hydroxy-4-methylphenyl)methylideneamino]pyrazine-2-carboxamide
SMILESCc1ccc(C=NNC(=O)c2cnccn2)c(O)c1
InChIInChI=1S/C13H12N4O2/c1-9-2-3-10(12(18)6-9)7-16-17-13(19)11-8-14-4-5-15-11/h2-8,18H,1H3,(H,17,19)
InChIKeyVQQCONUZQVRISC-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.25
Rot. Bonds3

About N-[(2-hydroxy-4-methylphenyl)methylideneamino]pyrazine-2-carboxamide

N-[(2-hydroxy-4-methylphenyl)methylideneamino]pyrazine-2-carboxamide (PubChem CID 3450119) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-[(2-hydroxy-4-methylphenyl)methylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-4-methylphenyl)methylideneamino]pyrazine-2-carboxamide
PubChem CID3450119
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC NameN-[(2-hydroxy-4-methylphenyl)methylideneamino]pyrazine-2-carboxamide
SMILESCc1ccc(C=NNC(=O)c2cnccn2)c(O)c1
InChIInChI=1S/C13H12N4O2/c1-9-2-3-10(12(18)6-9)7-16-17-13(19)11-8-14-4-5-15-11/h2-8,18H,1H3,(H,17,19)
InChIKeyVQQCONUZQVRISC-UHFFFAOYSA-N
XLogP1.25
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-[(2-hydroxy-4-methylphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 1237230
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 135635822
N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]pyridine-2-carboxamide
CID 136750100
N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]pyrazine-2-carboxamide
CID 135715757
N-[(E)-(3-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide;hydrate
CID 139074065
3-fluoro-N-[(2-hydroxy-4-methylphenyl)methylideneamino]benzamide
CID 795218
2-fluoro-N-[(2-hydroxy-4-methylphenyl)methylideneamino]benzamide
CID 3426419
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 135628281
N-[(Z)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 135644732
N-[(2-hydroxy-4-methylphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 869653
N-[(1-methylpyrrol-2-yl)methylideneamino]pyrazine-2-carboxamide
CID 668426
N-[(Z)-thiophen-2-ylmethylideneamino]pyrazine-2-carboxamide
CID 5395279

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-4-methylphenyl)methylideneamino]pyrazine-2-carboxamide?
The IUPAC name of N-[(2-hydroxy-4-methylphenyl)methylideneamino]pyrazine-2-carboxamide (CID 3450119) is N-[(2-hydroxy-4-methylphenyl)methylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-4-methylphenyl)methylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2-hydroxy-4-methylphenyl)methylideneamino]pyrazine-2-carboxamide is Cc1ccc(C=NNC(=O)c2cnccn2)c(O)c1.
What is the InChIKey of N-[(2-hydroxy-4-methylphenyl)methylideneamino]pyrazine-2-carboxamide?
The InChIKey is VQQCONUZQVRISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-9-2-3-10(12(18)6-9)7-16-17-13(19)11-8-14-4-5-15-11/h2-8,18H,1H3,(H,17,19).
What are the key properties of N-[(2-hydroxy-4-methylphenyl)methylideneamino]pyrazine-2-carboxamide?
N-[(2-hydroxy-4-methylphenyl)methylideneamino]pyrazine-2-carboxamide has a molecular weight of 256.26 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-4-methylphenyl)methylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 3450119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).