4-(3-cyanopyrazin-2-yl)-N-phenylpiperazine-1-carboxamide

C16H16N6O — CID 2822687

IUPAC4-(3-cyanopyrazin-2-yl)-N-phenylpiperazine-1-carboxamide
SMILESN#Cc1nccnc1N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C16H16N6O/c17-12-14-15(19-7-6-18-14)21-8-10-22(11-9-21)16(23)20-13-4-2-1-3-5-13/h1-7H,8-11H2,(H,20,23)
InChIKeyUCRNYRUORXGWRQ-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.70
Rot. Bonds2

About 4-(3-cyanopyrazin-2-yl)-N-phenylpiperazine-1-carboxamide

4-(3-cyanopyrazin-2-yl)-N-phenylpiperazine-1-carboxamide (PubChem CID 2822687) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 4-(3-cyanopyrazin-2-yl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-cyanopyrazin-2-yl)-N-phenylpiperazine-1-carboxamide
PubChem CID2822687
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name4-(3-cyanopyrazin-2-yl)-N-phenylpiperazine-1-carboxamide
SMILESN#Cc1nccnc1N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C16H16N6O/c17-12-14-15(19-7-6-18-14)21-8-10-22(11-9-21)16(23)20-13-4-2-1-3-5-13/h1-7H,8-11H2,(H,20,23)
InChIKeyUCRNYRUORXGWRQ-UHFFFAOYSA-N
XLogP1.70
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanopyrazin-2-yl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-cyanopyrazin-2-yl)-N-phenylpiperazine-1-carboxamide (CID 2822687) is 4-(3-cyanopyrazin-2-yl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-cyanopyrazin-2-yl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-cyanopyrazin-2-yl)-N-phenylpiperazine-1-carboxamide is N#Cc1nccnc1N1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-(3-cyanopyrazin-2-yl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is UCRNYRUORXGWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c17-12-14-15(19-7-6-18-14)21-8-10-22(11-9-21)16(23)20-13-4-2-1-3-5-13/h1-7H,8-11H2,(H,20,23).
What are the key properties of 4-(3-cyanopyrazin-2-yl)-N-phenylpiperazine-1-carboxamide?
4-(3-cyanopyrazin-2-yl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanopyrazin-2-yl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 2822687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).