6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide

C26H34F2N6O4 — CID 126680665

About 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide

6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide (PubChem CID 126680665) has the molecular formula C26H34F2N6O4 and a molecular weight of 532.59 g/mol. Its IUPAC name is 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide
• PubChem CID: 126680665
• Molecular Formula: C26H34F2N6O4
• Molecular Weight: 532.59 g/mol
• Exact Mass: 532.26
• IUPAC Name: 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide
• SMILES: Cc1ccc(C2CCN(c3cc(C(=O)N[C@H](C)C(C)(C)O)nc(OCC4CC4(F)F)n3)CC2)nc1C(N)=O
• InChI: InChI=1S/C26H34F2N6O4/c1-14-5-6-18(31-21(14)22(29)35)16-7-9-34(10-8-16)20-11-19(23(36)30-15(2)25(3,4)37)32-24(33-20)38-13-17-12-26(17,27)28/h5-6,11,15-17,37H,7-10,12-13H2,1-4H3,(H2,29,35)(H,30,36)/t15-,17?/m1/s1
• InChIKey: RYCKBLWQXSLOMO-LDCVWXEPSA-N
• XLogP: 2.59
• TPSA: 143.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.59
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide?

The IUPAC name of 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide (CID 126680665) is 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide.

What is the SMILES notation for 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide?

The canonical SMILES for 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide is Cc1ccc(C2CCN(c3cc(C(=O)N[C@H](C)C(C)(C)O)nc(OCC4CC4(F)F)n3)CC2)nc1C(N)=O.

What is the InChIKey of 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide?

The InChIKey is RYCKBLWQXSLOMO-LDCVWXEPSA-N. The full InChI is InChI=1S/C26H34F2N6O4/c1-14-5-6-18(31-21(14)22(29)35)16-7-9-34(10-8-16)20-11-19(23(36)30-15(2)25(3,4)37)32-24(33-20)38-13-17-12-26(17,27)28/h5-6,11,15-17,37H,7-10,12-13H2,1-4H3,(H2,29,35)(H,30,36)/t15-,17?/m1/s1.

What are the key properties of 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide?

6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide has a molecular weight of 532.59 g/mol, XLogP of 2.59, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 126680665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).