N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]pyrazine-2-carboxamide

C15H14N4O — CID 6866788

IUPACN-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]pyrazine-2-carboxamide
SMILESCC(=C/c1ccccc1)/C=N/NC(=O)c1cnccn1
InChIInChI=1S/C15H14N4O/c1-12(9-13-5-3-2-4-6-13)10-18-19-15(20)14-11-16-7-8-17-14/h2-11H,1H3,(H,19,20)/b12-9-,18-10+
InChIKeyPSYVCDUKYHYIAD-QHSPSIEVSA-N
MW266.30 g/mol
LogP2.30
Rot. Bonds4

About N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]pyrazine-2-carboxamide

N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]pyrazine-2-carboxamide (PubChem CID 6866788) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]pyrazine-2-carboxamide
PubChem CID6866788
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]pyrazine-2-carboxamide
SMILESCC(=C/c1ccccc1)/C=N/NC(=O)c1cnccn1
InChIInChI=1S/C15H14N4O/c1-12(9-13-5-3-2-4-6-13)10-18-19-15(20)14-11-16-7-8-17-14/h2-11H,1H3,(H,19,20)/b12-9-,18-10+
InChIKeyPSYVCDUKYHYIAD-QHSPSIEVSA-N
XLogP2.30
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]pyrazine-2-carboxamide?
The IUPAC name of N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]pyrazine-2-carboxamide (CID 6866788) is N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]pyrazine-2-carboxamide is CC(=C/c1ccccc1)/C=N/NC(=O)c1cnccn1.
What is the InChIKey of N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]pyrazine-2-carboxamide?
The InChIKey is PSYVCDUKYHYIAD-QHSPSIEVSA-N. The full InChI is InChI=1S/C15H14N4O/c1-12(9-13-5-3-2-4-6-13)10-18-19-15(20)14-11-16-7-8-17-14/h2-11H,1H3,(H,19,20)/b12-9-,18-10+.
What are the key properties of N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]pyrazine-2-carboxamide?
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]pyrazine-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]pyrazine-2-carboxamide is sourced from PubChem (CID 6866788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).