N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]pyrazine-2-carboxamide

C14H14N4O2 — CID 5402198

IUPACN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]pyrazine-2-carboxamide
SMILESCOc1ccc(/C(C)=N\NC(=O)c2cnccn2)cc1
InChIInChI=1S/C14H14N4O2/c1-10(11-3-5-12(20-2)6-4-11)17-18-14(19)13-9-15-7-8-16-13/h3-9H,1-2H3,(H,18,19)/b17-10-
InChIKeyZSJWLFUUKJCJTB-YVLHZVERSA-N
MW270.29 g/mol
LogP1.64
Rot. Bonds4

About N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]pyrazine-2-carboxamide

N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]pyrazine-2-carboxamide (PubChem CID 5402198) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]pyrazine-2-carboxamide
PubChem CID5402198
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]pyrazine-2-carboxamide
SMILESCOc1ccc(/C(C)=N\NC(=O)c2cnccn2)cc1
InChIInChI=1S/C14H14N4O2/c1-10(11-3-5-12(20-2)6-4-11)17-18-14(19)13-9-15-7-8-16-13/h3-9H,1-2H3,(H,18,19)/b17-10-
InChIKeyZSJWLFUUKJCJTB-YVLHZVERSA-N
XLogP1.64
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]pyrazine-2-carboxamide?
The IUPAC name of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]pyrazine-2-carboxamide (CID 5402198) is N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]pyrazine-2-carboxamide is COc1ccc(/C(C)=N\NC(=O)c2cnccn2)cc1.
What is the InChIKey of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]pyrazine-2-carboxamide?
The InChIKey is ZSJWLFUUKJCJTB-YVLHZVERSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-10(11-3-5-12(20-2)6-4-11)17-18-14(19)13-9-15-7-8-16-13/h3-9H,1-2H3,(H,18,19)/b17-10-.
What are the key properties of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]pyrazine-2-carboxamide?
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]pyrazine-2-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 5402198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).