N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]pyrazine-2-carboxamide

C15H14N4O2 — CID 6116232

IUPACN-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]pyrazine-2-carboxamide
SMILESC=CCOc1ccc(/C=N\NC(=O)c2cnccn2)cc1
InChIInChI=1S/C15H14N4O2/c1-2-9-21-13-5-3-12(4-6-13)10-18-19-15(20)14-11-16-7-8-17-14/h2-8,10-11H,1,9H2,(H,19,20)/b18-10-
InChIKeyAOILRIIVBMDLDT-ZDLGFXPLSA-N
MW282.30 g/mol
LogP1.81
Rot. Bonds6

About N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]pyrazine-2-carboxamide

N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]pyrazine-2-carboxamide (PubChem CID 6116232) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]pyrazine-2-carboxamide
PubChem CID6116232
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]pyrazine-2-carboxamide
SMILESC=CCOc1ccc(/C=N\NC(=O)c2cnccn2)cc1
InChIInChI=1S/C15H14N4O2/c1-2-9-21-13-5-3-12(4-6-13)10-18-19-15(20)14-11-16-7-8-17-14/h2-8,10-11H,1,9H2,(H,19,20)/b18-10-
InChIKeyAOILRIIVBMDLDT-ZDLGFXPLSA-N
XLogP1.81
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 760521
4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 4926312
4-prop-2-enoxy-N-(pyridin-4-ylmethylideneamino)benzamide
CID 3342882
[4-[(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate
CID 4077359
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 135588976
N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide
CID 939997
2-hydroxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5333365
4-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6006510
N-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 4925636
[4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate
CID 6291991
N-(benzylideneamino)-4-prop-2-enoxybenzamide
CID 4925725
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 135635822

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The IUPAC name of N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]pyrazine-2-carboxamide (CID 6116232) is N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]pyrazine-2-carboxamide is C=CCOc1ccc(/C=N\NC(=O)c2cnccn2)cc1.
What is the InChIKey of N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The InChIKey is AOILRIIVBMDLDT-ZDLGFXPLSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-2-9-21-13-5-3-12(4-6-13)10-18-19-15(20)14-11-16-7-8-17-14/h2-8,10-11H,1,9H2,(H,19,20)/b18-10-.
What are the key properties of N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]pyrazine-2-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 6116232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).