3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide

C25H28N6O2 — CID 59471726

IUPAC3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C25H28N6O2/c26-23-22(25(33)29-20-7-3-1-4-8-20)30-21(17-28-23)18-9-11-19(12-10-18)24(32)27-13-16-31-14-5-2-6-15-31/h1,3-4,7-12,17H,2,5-6,13-16H2,(H2,26,28)(H,27,32)(H,29,33)
InChIKeyFAGOROISPUFWKM-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.19
Rot. Bonds7

About 3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide

3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide (PubChem CID 59471726) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide
PubChem CID59471726
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C25H28N6O2/c26-23-22(25(33)29-20-7-3-1-4-8-20)30-21(17-28-23)18-9-11-19(12-10-18)24(32)27-13-16-31-14-5-2-6-15-31/h1,3-4,7-12,17H,2,5-6,13-16H2,(H2,26,28)(H,27,32)(H,29,33)
InChIKeyFAGOROISPUFWKM-UHFFFAOYSA-N
XLogP3.19
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide (CID 59471726) is 3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide is Nc1ncc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)nc1C(=O)Nc1ccccc1.
What is the InChIKey of 3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is FAGOROISPUFWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c26-23-22(25(33)29-20-7-3-1-4-8-20)30-21(17-28-23)18-9-11-19(12-10-18)24(32)27-13-16-31-14-5-2-6-15-31/h1,3-4,7-12,17H,2,5-6,13-16H2,(H2,26,28)(H,27,32)(H,29,33).
What are the key properties of 3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide?
3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 3.19, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 59471726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).