N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide

C15H14N4O2 — CID 6861745

IUPACN-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide
SMILESCOc1ccccc1/C=C/C=N/NC(=O)c1cnccn1
InChIInChI=1S/C15H14N4O2/c1-21-14-7-3-2-5-12(14)6-4-8-18-19-15(20)13-11-16-9-10-17-13/h2-11H,1H3,(H,19,20)/b6-4+,18-8+
InChIKeyAAJLRXQUJXOGTL-MTEHDHEFSA-N
MW282.30 g/mol
LogP1.91
Rot. Bonds5

About N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide

N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide (PubChem CID 6861745) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide
PubChem CID6861745
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide
SMILESCOc1ccccc1/C=C/C=N/NC(=O)c1cnccn1
InChIInChI=1S/C15H14N4O2/c1-21-14-7-3-2-5-12(14)6-4-8-18-19-15(20)13-11-16-9-10-17-13/h2-11H,1H3,(H,19,20)/b6-4+,18-8+
InChIKeyAAJLRXQUJXOGTL-MTEHDHEFSA-N
XLogP1.91
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.91
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-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide?
The IUPAC name of N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide (CID 6861745) is N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide is COc1ccccc1/C=C/C=N/NC(=O)c1cnccn1.
What is the InChIKey of N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide?
The InChIKey is AAJLRXQUJXOGTL-MTEHDHEFSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-21-14-7-3-2-5-12(14)6-4-8-18-19-15(20)13-11-16-9-10-17-13/h2-11H,1H3,(H,19,20)/b6-4+,18-8+.
What are the key properties of N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide?
N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide is sourced from PubChem (CID 6861745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).