2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxypyrimidin-2-yl)-5-methylpyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methyl-N-(6-oxo-1H-pyrimidin-2-yl)pyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methylpyridine-3-carboxamide

C45H51F6N13O5 — CID 160833846

About 2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxypyrimidin-2-yl)-5-methylpyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methyl-N-(6-oxo-1H-pyrimidin-2-yl)pyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methylpyridine-3-carboxamide

2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxypyrimidin-2-yl)-5-methylpyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methyl-N-(6-oxo-1H-pyrimidin-2-yl)pyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methylpyridine-3-carboxamide (PubChem CID 160833846) has the molecular formula C45H51F6N13O5 and a molecular weight of 967.98 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxypyrimidin-2-yl)-5-methylpyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methyl-N-(6-oxo-1H-pyrimidin-2-yl)pyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxypyrimidin-2-yl)-5-methylpyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methyl-N-(6-oxo-1H-pyrimidin-2-yl)pyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methylpyridine-3-carboxamide
• PubChem CID: 160833846
• Molecular Formula: C45H51F6N13O5
• Molecular Weight: 967.98 g/mol
• Exact Mass: 967.40
• IUPAC Name: 2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxypyrimidin-2-yl)-5-methylpyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methyl-N-(6-oxo-1H-pyrimidin-2-yl)pyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methylpyridine-3-carboxamide
• SMILES: COc1ccnc(NC(=O)c2cc(C)cnc2N2CCC(F)(F)CC2)n1.Cc1cnc(N2CCC(F)(F)CC2)c(C(=O)Nc2nccc(=O)[nH]2)c1.Cc1cnc(N2CCC(F)(F)CC2)c(C(N)=O)c1
• InChI: InChI=1S/C17H19F2N5O2.C16H17F2N5O2.C12H15F2N3O/c1-11-9-12(15(25)23-16-20-6-3-13(22-16)26-2)14(21-10-11)24-7-4-17(18,19)5-8-24;1-10-8-11(14(25)22-15-19-5-2-12(24)21-15)13(20-9-10)23-6-3-16(17,18)4-7-23;1-8-6-9(10(15)18)11(16-7-8)17-4-2-12(13,14)3-5-17/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,20,22,23,25);2,5,8-9H,3-4,6-7H2,1H3,(H2,19,21,22,24,25);6-7H,2-5H2,1H3,(H2,15,18)
• InChIKey: SHDQBLBGEXEKPA-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 230.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	967.98
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxypyrimidin-2-yl)-5-methylpyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methyl-N-(6-oxo-1H-pyrimidin-2-yl)pyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methylpyridine-3-carboxamide?

The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxypyrimidin-2-yl)-5-methylpyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methyl-N-(6-oxo-1H-pyrimidin-2-yl)pyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methylpyridine-3-carboxamide (CID 160833846) is 2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxypyrimidin-2-yl)-5-methylpyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methyl-N-(6-oxo-1H-pyrimidin-2-yl)pyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methylpyridine-3-carboxamide.

What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxypyrimidin-2-yl)-5-methylpyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methyl-N-(6-oxo-1H-pyrimidin-2-yl)pyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methylpyridine-3-carboxamide?

The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxypyrimidin-2-yl)-5-methylpyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methyl-N-(6-oxo-1H-pyrimidin-2-yl)pyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methylpyridine-3-carboxamide is COc1ccnc(NC(=O)c2cc(C)cnc2N2CCC(F)(F)CC2)n1.Cc1cnc(N2CCC(F)(F)CC2)c(C(=O)Nc2nccc(=O)[nH]2)c1.Cc1cnc(N2CCC(F)(F)CC2)c(C(N)=O)c1.

What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxypyrimidin-2-yl)-5-methylpyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methyl-N-(6-oxo-1H-pyrimidin-2-yl)pyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methylpyridine-3-carboxamide?

The InChIKey is SHDQBLBGEXEKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O2.C16H17F2N5O2.C12H15F2N3O/c1-11-9-12(15(25)23-16-20-6-3-13(22-16)26-2)14(21-10-11)24-7-4-17(18,19)5-8-24;1-10-8-11(14(25)22-15-19-5-2-12(24)21-15)13(20-9-10)23-6-3-16(17,18)4-7-23;1-8-6-9(10(15)18)11(16-7-8)17-4-2-12(13,14)3-5-17/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,20,22,23,25);2,5,8-9H,3-4,6-7H2,1H3,(H2,19,21,22,24,25);6-7H,2-5H2,1H3,(H2,15,18).

What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxypyrimidin-2-yl)-5-methylpyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methyl-N-(6-oxo-1H-pyrimidin-2-yl)pyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methylpyridine-3-carboxamide?

2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxypyrimidin-2-yl)-5-methylpyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methyl-N-(6-oxo-1H-pyrimidin-2-yl)pyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methylpyridine-3-carboxamide has a molecular weight of 967.98 g/mol, XLogP of 6.36, 9 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxypyrimidin-2-yl)-5-methylpyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methyl-N-(6-oxo-1H-pyrimidin-2-yl)pyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 160833846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).