3-amino-6-(cyclohexen-1-yl)-N-phenylpyrazine-2-carboxamide

C17H18N4O — CID 52937150

IUPAC3-amino-6-(cyclohexen-1-yl)-N-phenylpyrazine-2-carboxamide
SMILESNc1ncc(C2=CCCCC2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C17H18N4O/c18-16-15(17(22)20-13-9-5-2-6-10-13)21-14(11-19-16)12-7-3-1-4-8-12/h2,5-7,9-11H,1,3-4,8H2,(H2,18,19)(H,20,22)
InChIKeyWHGTZHWVWKFKEU-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.27
Rot. Bonds3

About 3-amino-6-(cyclohexen-1-yl)-N-phenylpyrazine-2-carboxamide

3-amino-6-(cyclohexen-1-yl)-N-phenylpyrazine-2-carboxamide (PubChem CID 52937150) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-amino-6-(cyclohexen-1-yl)-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(cyclohexen-1-yl)-N-phenylpyrazine-2-carboxamide
PubChem CID52937150
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name3-amino-6-(cyclohexen-1-yl)-N-phenylpyrazine-2-carboxamide
SMILESNc1ncc(C2=CCCCC2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C17H18N4O/c18-16-15(17(22)20-13-9-5-2-6-10-13)21-14(11-19-16)12-7-3-1-4-8-12/h2,5-7,9-11H,1,3-4,8H2,(H2,18,19)(H,20,22)
InChIKeyWHGTZHWVWKFKEU-UHFFFAOYSA-N
XLogP3.27
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(cyclohexen-1-yl)-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(cyclohexen-1-yl)-N-phenylpyrazine-2-carboxamide (CID 52937150) is 3-amino-6-(cyclohexen-1-yl)-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(cyclohexen-1-yl)-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(cyclohexen-1-yl)-N-phenylpyrazine-2-carboxamide is Nc1ncc(C2=CCCCC2)nc1C(=O)Nc1ccccc1.
What is the InChIKey of 3-amino-6-(cyclohexen-1-yl)-N-phenylpyrazine-2-carboxamide?
The InChIKey is WHGTZHWVWKFKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c18-16-15(17(22)20-13-9-5-2-6-10-13)21-14(11-19-16)12-7-3-1-4-8-12/h2,5-7,9-11H,1,3-4,8H2,(H2,18,19)(H,20,22).
What are the key properties of 3-amino-6-(cyclohexen-1-yl)-N-phenylpyrazine-2-carboxamide?
3-amino-6-(cyclohexen-1-yl)-N-phenylpyrazine-2-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(cyclohexen-1-yl)-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 52937150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).