5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[(3S)-3-phenacylpiperidin-1-yl]pyrazine-2-carboxamide

C36H43N13O3S2 — CID 158930475

About 5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[(3S)-3-phenacylpiperidin-1-yl]pyrazine-2-carboxamide

5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[(3S)-3-phenacylpiperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 158930475) has the molecular formula C36H43N13O3S2 and a molecular weight of 769.96 g/mol. Its IUPAC name is 5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[(3S)-3-phenacylpiperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[(3S)-3-phenacylpiperidin-1-yl]pyrazine-2-carboxamide
• PubChem CID: 158930475
• Molecular Formula: C36H43N13O3S2
• Molecular Weight: 769.96 g/mol
• Exact Mass: 769.31
• IUPAC Name: 5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[(3S)-3-phenacylpiperidin-1-yl]pyrazine-2-carboxamide
• SMILES: Cc1cc(Nc2nc(N3CCC[C@@H](CC(=O)c4ccccc4)C3)cnc2C(N)=O)sn1.Cc1cc(Nc2nc(N3CCC[C@@H](N)C3)cnc2C(N)=O)sn1
• InChI: InChI=1S/C22H24N6O2S.C14H19N7OS/c1-14-10-19(31-27-14)26-22-20(21(23)30)24-12-18(25-22)28-9-5-6-15(13-28)11-17(29)16-7-3-2-4-8-16;1-8-5-11(23-20-8)19-14-12(13(16)22)17-6-10(18-14)21-4-2-3-9(15)7-21/h2-4,7-8,10,12,15H,5-6,9,11,13H2,1H3,(H2,23,30)(H,25,26);5-6,9H,2-4,7,15H2,1H3,(H2,16,22)(H,18,19)/t15-;9-/m01/s1
• InChIKey: JIZJQRVJILUWMK-PMPXNMRPSA-N
• XLogP: 4.58
• TPSA: 237.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.96
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[(3S)-3-phenacylpiperidin-1-yl]pyrazine-2-carboxamide?

The IUPAC name of 5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[(3S)-3-phenacylpiperidin-1-yl]pyrazine-2-carboxamide (CID 158930475) is 5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[(3S)-3-phenacylpiperidin-1-yl]pyrazine-2-carboxamide.

What is the SMILES notation for 5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[(3S)-3-phenacylpiperidin-1-yl]pyrazine-2-carboxamide?

The canonical SMILES for 5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[(3S)-3-phenacylpiperidin-1-yl]pyrazine-2-carboxamide is Cc1cc(Nc2nc(N3CCC[C@@H](CC(=O)c4ccccc4)C3)cnc2C(N)=O)sn1.Cc1cc(Nc2nc(N3CCC[C@@H](N)C3)cnc2C(N)=O)sn1.

What is the InChIKey of 5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[(3S)-3-phenacylpiperidin-1-yl]pyrazine-2-carboxamide?

The InChIKey is JIZJQRVJILUWMK-PMPXNMRPSA-N. The full InChI is InChI=1S/C22H24N6O2S.C14H19N7OS/c1-14-10-19(31-27-14)26-22-20(21(23)30)24-12-18(25-22)28-9-5-6-15(13-28)11-17(29)16-7-3-2-4-8-16;1-8-5-11(23-20-8)19-14-12(13(16)22)17-6-10(18-14)21-4-2-3-9(15)7-21/h2-4,7-8,10,12,15H,5-6,9,11,13H2,1H3,(H2,23,30)(H,25,26);5-6,9H,2-4,7,15H2,1H3,(H2,16,22)(H,18,19)/t15-;9-/m01/s1.

What are the key properties of 5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[(3S)-3-phenacylpiperidin-1-yl]pyrazine-2-carboxamide?

5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[(3S)-3-phenacylpiperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 769.96 g/mol, XLogP of 4.58, 11 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[(3S)-3-phenacylpiperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 158930475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).