4-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1S)-2-cyanocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide

C22H23F3N8O3 — CID 126683903

About 4-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1S)-2-cyanocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide

4-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1S)-2-cyanocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide (PubChem CID 126683903) has the molecular formula C22H23F3N8O3 and a molecular weight of 504.47 g/mol. Its IUPAC name is 4-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1S)-2-cyanocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1S)-2-cyanocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide
• PubChem CID: 126683903
• Molecular Formula: C22H23F3N8O3
• Molecular Weight: 504.47 g/mol
• Exact Mass: 504.18
• IUPAC Name: 4-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1S)-2-cyanocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide
• SMILES: N#CC1C[C@@H]1COc1nc(C(=O)NCC(F)(F)F)nc(N2CCC(c3cccc(C(N)=O)n3)CC2)n1
• InChI: InChI=1S/C22H23F3N8O3/c23-22(24,25)11-28-19(35)18-30-20(32-21(31-18)36-10-14-8-13(14)9-26)33-6-4-12(5-7-33)15-2-1-3-16(29-15)17(27)34/h1-3,12-14H,4-8,10-11H2,(H2,27,34)(H,28,35)/t13?,14-/m1/s1
• InChIKey: MNTXBKCJJZLLNU-ARLHGKGLSA-N
• XLogP: 1.58
• TPSA: 160.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.47
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1S)-2-cyanocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide?

The IUPAC name of 4-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1S)-2-cyanocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide (CID 126683903) is 4-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1S)-2-cyanocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide.

What is the SMILES notation for 4-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1S)-2-cyanocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide?

The canonical SMILES for 4-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1S)-2-cyanocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide is N#CC1C[C@@H]1COc1nc(C(=O)NCC(F)(F)F)nc(N2CCC(c3cccc(C(N)=O)n3)CC2)n1.

What is the InChIKey of 4-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1S)-2-cyanocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide?

The InChIKey is MNTXBKCJJZLLNU-ARLHGKGLSA-N. The full InChI is InChI=1S/C22H23F3N8O3/c23-22(24,25)11-28-19(35)18-30-20(32-21(31-18)36-10-14-8-13(14)9-26)33-6-4-12(5-7-33)15-2-1-3-16(29-15)17(27)34/h1-3,12-14H,4-8,10-11H2,(H2,27,34)(H,28,35)/t13?,14-/m1/s1.

What are the key properties of 4-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1S)-2-cyanocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide?

4-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1S)-2-cyanocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide has a molecular weight of 504.47 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1S)-2-cyanocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 126683903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).