N-[(E)-(2-methoxyphenyl)methylideneamino]-N-methylpyrazine-2-carboxamide

C14H14N4O2 — CID 139061560

IUPACN-[(E)-(2-methoxyphenyl)methylideneamino]-N-methylpyrazine-2-carboxamide
SMILESCOc1ccccc1/C=N/N(C)C(=O)c1cnccn1
InChIInChI=1S/C14H14N4O2/c1-18(14(19)12-10-15-7-8-16-12)17-9-11-5-3-4-6-13(11)20-2/h3-10H,1-2H3/b17-9+
InChIKeyJSXCGGPIOGHQRK-RQZCQDPDSA-N
MW270.29 g/mol
LogP1.59
Rot. Bonds4

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

N-[(E)-(2-methoxyphenyl)methylideneamino]-N-methylpyrazine-2-carboxamide (PubChem CID 139061560) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[(E)-(2-methoxyphenyl)methylideneamino]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-methoxyphenyl)methylideneamino]-N-methylpyrazine-2-carboxamide
PubChem CID139061560
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-[(E)-(2-methoxyphenyl)methylideneamino]-N-methylpyrazine-2-carboxamide
SMILESCOc1ccccc1/C=N/N(C)C(=O)c1cnccn1
InChIInChI=1S/C14H14N4O2/c1-18(14(19)12-10-15-7-8-16-12)17-9-11-5-3-4-6-13(11)20-2/h3-10H,1-2H3/b17-9+
InChIKeyJSXCGGPIOGHQRK-RQZCQDPDSA-N
XLogP1.59
TPSA67.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.59
H-Bond Donors ≤ 50
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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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 31234095
N-hydroxy-N-methoxypyrazine-2-carboxamide
CID 54209854
N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpyrazine-2-carboxamide
CID 53184992
N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide
CID 54913010
pyridin-3-yl 3-(2-methoxyphenyl)prop-2-enoate
CID 4990417
N-(2-methoxy-6-methylphenyl)-1-phenyl-1-pyrazin-2-ylmethanimine
CID 90458794
N-[2-(benzylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-phenylpyrazine-2-carboxamide
CID 3188494
(E)-4-(2-methoxyphenyl)-3-pyridin-2-ylbut-3-en-2-one
CID 67850877
2-ethyl-3-methoxy-N-(2-oxo-2-pyrazin-2-ylethyl)benzamide
CID 161137524
[2-(2-methoxyanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2355502
methyl 2-[benzyl(pyrazine-2-carbonyl)amino]propanoate
CID 119052947
N-[(2-methoxyphenyl)methyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 6734087

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methoxyphenyl)methylideneamino]-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(E)-(2-methoxyphenyl)methylideneamino]-N-methylpyrazine-2-carboxamide (CID 139061560) is N-[(E)-(2-methoxyphenyl)methylideneamino]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(E)-(2-methoxyphenyl)methylideneamino]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(E)-(2-methoxyphenyl)methylideneamino]-N-methylpyrazine-2-carboxamide is COc1ccccc1/C=N/N(C)C(=O)c1cnccn1.
What is the InChIKey of N-[(E)-(2-methoxyphenyl)methylideneamino]-N-methylpyrazine-2-carboxamide?
The InChIKey is JSXCGGPIOGHQRK-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-18(14(19)12-10-15-7-8-16-12)17-9-11-5-3-4-6-13(11)20-2/h3-10H,1-2H3/b17-9+.
What are the key properties of N-[(E)-(2-methoxyphenyl)methylideneamino]-N-methylpyrazine-2-carboxamide?
N-[(E)-(2-methoxyphenyl)methylideneamino]-N-methylpyrazine-2-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methoxyphenyl)methylideneamino]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 139061560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).