6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide

C96H125F8N25O15 — CID 160752664

About 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide

6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (PubChem CID 160752664) has the molecular formula C96H125F8N25O15 and a molecular weight of 2021.20 g/mol. Its IUPAC name is 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
• PubChem CID: 160752664
• Molecular Formula: C96H125F8N25O15
• Molecular Weight: 2021.20 g/mol
• Exact Mass: 2019.97
• IUPAC Name: 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
• SMILES: COC[C@@H](C)Oc1nc(C(=O)NCC(F)(F)F)cc(N2CCC(c3ccc(C)c(C(N)=O)n3)CC2)n1.COC[C@@H](C)Oc1nc(C(=O)N[C@H](C)CN(C)C)cc(N2CCC(c3ccc(C)c(C(N)=O)n3)CC2)n1.Cc1ccc(C2CCN(c3cc(C(=O)NCC(F)(F)F)nc(OCC4CC4(F)F)n3)CC2)nc1C(N)=O.Cc1ccc(C2CCN(c3cc(C(=O)N[C@H](C)CO)nc(OCC4CC4)n3)CC2)nc1C(N)=O
• InChI: InChI=1S/C26H39N7O4.C24H32N6O4.C23H25F5N6O3.C23H29F3N6O4/c1-16-7-8-20(29-23(16)24(27)34)19-9-11-33(12-10-19)22-13-21(25(35)28-17(2)14-32(4)5)30-26(31-22)37-18(3)15-36-6;1-14-3-6-18(27-21(14)22(25)32)17-7-9-30(10-8-17)20-11-19(23(33)26-15(2)12-31)28-24(29-20)34-13-16-4-5-16;1-12-2-3-15(31-18(12)19(29)35)13-4-6-34(7-5-13)17-8-16(20(36)30-11-23(26,27)28)32-21(33-17)37-10-14-9-22(14,24)25;1-13-4-5-16(29-19(13)20(27)33)15-6-8-32(9-7-15)18-10-17(21(34)28-12-23(24,25)26)30-22(31-18)36-14(2)11-35-3/h7-8,13,17-19H,9-12,14-15H2,1-6H3,(H2,27,34)(H,28,35);3,6,11,15-17,31H,4-5,7-10,12-13H2,1-2H3,(H2,25,32)(H,26,33);2-3,8,13-14H,4-7,9-11H2,1H3,(H2,29,35)(H,30,36);4-5,10,14-15H,6-9,11-12H2,1-3H3,(H2,27,33)(H,28,34)/t17-,18-;15-;;14-/m11.1/s1
• InChIKey: RXAKJHSDVPQPAQ-LQOKJHFQSA-N
• XLogP: 8.68
• TPSA: 535.25 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 37
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2021.20
LogP ≤ 5	8.68
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?

The IUPAC name of 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (CID 160752664) is 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.

What is the SMILES notation for 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?

The canonical SMILES for 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is COC[C@@H](C)Oc1nc(C(=O)NCC(F)(F)F)cc(N2CCC(c3ccc(C)c(C(N)=O)n3)CC2)n1.COC[C@@H](C)Oc1nc(C(=O)N[C@H](C)CN(C)C)cc(N2CCC(c3ccc(C)c(C(N)=O)n3)CC2)n1.Cc1ccc(C2CCN(c3cc(C(=O)NCC(F)(F)F)nc(OCC4CC4(F)F)n3)CC2)nc1C(N)=O.Cc1ccc(C2CCN(c3cc(C(=O)N[C@H](C)CO)nc(OCC4CC4)n3)CC2)nc1C(N)=O.

What is the InChIKey of 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?

The InChIKey is RXAKJHSDVPQPAQ-LQOKJHFQSA-N. The full InChI is InChI=1S/C26H39N7O4.C24H32N6O4.C23H25F5N6O3.C23H29F3N6O4/c1-16-7-8-20(29-23(16)24(27)34)19-9-11-33(12-10-19)22-13-21(25(35)28-17(2)14-32(4)5)30-26(31-22)37-18(3)15-36-6;1-14-3-6-18(27-21(14)22(25)32)17-7-9-30(10-8-17)20-11-19(23(33)26-15(2)12-31)28-24(29-20)34-13-16-4-5-16;1-12-2-3-15(31-18(12)19(29)35)13-4-6-34(7-5-13)17-8-16(20(36)30-11-23(26,27)28)32-21(33-17)37-10-14-9-22(14,24)25;1-13-4-5-16(29-19(13)20(27)33)15-6-8-32(9-7-15)18-10-17(21(34)28-12-23(24,25)26)30-22(31-18)36-14(2)11-35-3/h7-8,13,17-19H,9-12,14-15H2,1-6H3,(H2,27,34)(H,28,35);3,6,11,15-17,31H,4-5,7-10,12-13H2,1-2H3,(H2,25,32)(H,26,33);2-3,8,13-14H,4-7,9-11H2,1H3,(H2,29,35)(H,30,36);4-5,10,14-15H,6-9,11-12H2,1-3H3,(H2,27,33)(H,28,34)/t17-,18-;15-;;14-/m11.1/s1.

What are the key properties of 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?

6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide has a molecular weight of 2021.20 g/mol, XLogP of 8.68, 37 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 160752664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).