5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide

C39H50N14O3S2 — CID 161294354

About 5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide

5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide (PubChem CID 161294354) has the molecular formula C39H50N14O3S2 and a molecular weight of 827.06 g/mol. Its IUPAC name is 5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]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;5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
• PubChem CID: 161294354
• Molecular Formula: C39H50N14O3S2
• Molecular Weight: 827.06 g/mol
• Exact Mass: 826.36
• IUPAC Name: 5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
• SMILES: Cc1cc(Nc2nc(N3CCC[C@@H](N)C3)cnc2C(N)=O)sn1.Cc1cc(Nc2nc(N3CCC[C@@H](NC(=O)c4ccc(C(C)(C)C)cc4)C3)cnc2C(N)=O)sn1
• InChI: InChI=1S/C25H31N7O2S.C14H19N7OS/c1-15-12-20(35-31-15)30-23-21(22(26)33)27-13-19(29-23)32-11-5-6-18(14-32)28-24(34)16-7-9-17(10-8-16)25(2,3)4;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/h7-10,12-13,18H,5-6,11,14H2,1-4H3,(H2,26,33)(H,28,34)(H,29,30);5-6,9H,2-4,7,15H2,1H3,(H2,16,22)(H,18,19)/t18-;9-/m11/s1
• InChIKey: VGTWSWZFOHCABH-KPQVYDHLSA-N
• XLogP: 4.79
• TPSA: 249.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	827.06
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	6
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;5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]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;5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide (CID 161294354) is 5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]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;5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]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;5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide is Cc1cc(Nc2nc(N3CCC[C@@H](N)C3)cnc2C(N)=O)sn1.Cc1cc(Nc2nc(N3CCC[C@@H](NC(=O)c4ccc(C(C)(C)C)cc4)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;5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?

The InChIKey is VGTWSWZFOHCABH-KPQVYDHLSA-N. The full InChI is InChI=1S/C25H31N7O2S.C14H19N7OS/c1-15-12-20(35-31-15)30-23-21(22(26)33)27-13-19(29-23)32-11-5-6-18(14-32)28-24(34)16-7-9-17(10-8-16)25(2,3)4;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/h7-10,12-13,18H,5-6,11,14H2,1-4H3,(H2,26,33)(H,28,34)(H,29,30);5-6,9H,2-4,7,15H2,1H3,(H2,16,22)(H,18,19)/t18-;9-/m11/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;5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?

5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide has a molecular weight of 827.06 g/mol, XLogP of 4.79, 10 rotatable bonds, 6 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;5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 161294354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).