N-[(4-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide

C14H14N4O2 — CID 760521

IUPACN-[(4-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
SMILESCCOc1ccc(C=NNC(=O)c2cnccn2)cc1
InChIInChI=1S/C14H14N4O2/c1-2-20-12-5-3-11(4-6-12)9-17-18-14(19)13-10-15-7-8-16-13/h3-10H,2H2,1H3,(H,18,19)
InChIKeyKOTKDJOURXJMQZ-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.64
Rot. Bonds5

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

N-[(4-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide (PubChem CID 760521) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
PubChem CID760521
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-[(4-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
SMILESCCOc1ccc(C=NNC(=O)c2cnccn2)cc1
InChIInChI=1S/C14H14N4O2/c1-2-20-12-5-3-11(4-6-12)9-17-18-14(19)13-10-15-7-8-16-13/h3-10H,2H2,1H3,(H,18,19)
InChIKeyKOTKDJOURXJMQZ-UHFFFAOYSA-N
XLogP1.64
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.64
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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Related Compounds

N-[(E)-(3-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 44613929
N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 6116232
[4-[(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate
CID 4077359
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 950063
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide
CID 939997
[4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate
CID 6291991
[4-bromo-2-[(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
CID 3427564
N-[(Z)-(3-ethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 40618803
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 135635822

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide (CID 760521) is N-[(4-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide is CCOc1ccc(C=NNC(=O)c2cnccn2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The InChIKey is KOTKDJOURXJMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-2-20-12-5-3-11(4-6-12)9-17-18-14(19)13-10-15-7-8-16-13/h3-10H,2H2,1H3,(H,18,19).
What are the key properties of N-[(4-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
N-[(4-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 760521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).