3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;N-[(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]-4-methyl-1,3-thiazole-2-carboxamide

C45H55N17O7S — CID 158305792

About 3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;N-[(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]-4-methyl-1,3-thiazole-2-carboxamide

3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;N-[(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]-4-methyl-1,3-thiazole-2-carboxamide (PubChem CID 158305792) has the molecular formula C45H55N17O7S and a molecular weight of 978.11 g/mol. Its IUPAC name is 3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;N-[(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]-4-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: 3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;N-[(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]-4-methyl-1,3-thiazole-2-carboxamide
• PubChem CID: 158305792
• Molecular Formula: C45H55N17O7S
• Molecular Weight: 978.11 g/mol
• Exact Mass: 977.42
• IUPAC Name: 3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;N-[(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]-4-methyl-1,3-thiazole-2-carboxamide
• SMILES: Cc1csc(C(=O)N[C@@H]2CCCN(c3nnc(C(N)=O)c(Nc4ccc(C(=O)N5CCOCC5)cc4)n3)C2)n1.NC(=O)c1nnc(N2CCC[C@@H](N)C2)nc1Nc1ccc(C(=O)N2CCOCC2)cc1
• InChI: InChI=1S/C25H29N9O4S.C20H26N8O3/c1-15-14-39-23(27-15)22(36)29-18-3-2-8-34(13-18)25-30-21(19(20(26)35)31-32-25)28-17-6-4-16(5-7-17)24(37)33-9-11-38-12-10-33;21-14-2-1-7-28(12-14)20-24-18(16(17(22)29)25-26-20)23-15-5-3-13(4-6-15)19(30)27-8-10-31-11-9-27/h4-7,14,18H,2-3,8-13H2,1H3,(H2,26,35)(H,29,36)(H,28,30,32);3-6,14H,1-2,7-12,21H2,(H2,22,29)(H,23,24,26)/t18-;14-/m11/s1
• InChIKey: GNBIHPYMOCJJIH-VFLSCRPESA-N
• XLogP: 1.46
• TPSA: 321.15 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	978.11
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;N-[(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]-4-methyl-1,3-thiazole-2-carboxamide?

The IUPAC name of 3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;N-[(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]-4-methyl-1,3-thiazole-2-carboxamide (CID 158305792) is 3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;N-[(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]-4-methyl-1,3-thiazole-2-carboxamide.

What is the SMILES notation for 3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;N-[(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]-4-methyl-1,3-thiazole-2-carboxamide?

The canonical SMILES for 3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;N-[(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]-4-methyl-1,3-thiazole-2-carboxamide is Cc1csc(C(=O)N[C@@H]2CCCN(c3nnc(C(N)=O)c(Nc4ccc(C(=O)N5CCOCC5)cc4)n3)C2)n1.NC(=O)c1nnc(N2CCC[C@@H](N)C2)nc1Nc1ccc(C(=O)N2CCOCC2)cc1.

What is the InChIKey of 3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;N-[(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]-4-methyl-1,3-thiazole-2-carboxamide?

The InChIKey is GNBIHPYMOCJJIH-VFLSCRPESA-N. The full InChI is InChI=1S/C25H29N9O4S.C20H26N8O3/c1-15-14-39-23(27-15)22(36)29-18-3-2-8-34(13-18)25-30-21(19(20(26)35)31-32-25)28-17-6-4-16(5-7-17)24(37)33-9-11-38-12-10-33;21-14-2-1-7-28(12-14)20-24-18(16(17(22)29)25-26-20)23-15-5-3-13(4-6-15)19(30)27-8-10-31-11-9-27/h4-7,14,18H,2-3,8-13H2,1H3,(H2,26,35)(H,29,36)(H,28,30,32);3-6,14H,1-2,7-12,21H2,(H2,22,29)(H,23,24,26)/t18-;14-/m11/s1.

What are the key properties of 3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;N-[(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]-4-methyl-1,3-thiazole-2-carboxamide?

3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;N-[(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]-4-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 978.11 g/mol, XLogP of 1.46, 12 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;N-[(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]-4-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 158305792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).