1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-pyridin-2-ylethanone

C51H62N6O9S — CID 160568026

About 1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-pyridin-2-ylethanone

1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-pyridin-2-ylethanone (PubChem CID 160568026) has the molecular formula C51H62N6O9S and a molecular weight of 935.16 g/mol. Its IUPAC name is 1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-pyridin-2-ylethanone.

Molecular Properties

• Compound Name: 1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-pyridin-2-ylethanone
• PubChem CID: 160568026
• Molecular Formula: C51H62N6O9S
• Molecular Weight: 935.16 g/mol
• Exact Mass: 934.43
• IUPAC Name: 1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-pyridin-2-ylethanone
• SMILES: CO[C@@H](C)COc1cc(C)nc(C(=O)Cc2ccccn2)c1.CO[C@@H](C)COc1cc(C)nc(C(=O)Cc2nc(C)cs2)c1.CO[C@H](C)COc1cc(C)nc(C(=O)Cc2ccc(C)cn2)c1
• InChI: InChI=1S/C18H22N2O3.C17H20N2O3.C16H20N2O3S/c1-12-5-6-15(19-10-12)8-18(21)17-9-16(7-13(2)20-17)23-11-14(3)22-4;1-12-8-15(22-11-13(2)21-3)10-16(19-12)17(20)9-14-6-4-5-7-18-14;1-10-5-13(21-8-12(3)20-4)6-14(17-10)15(19)7-16-18-11(2)9-22-16/h5-7,9-10,14H,8,11H2,1-4H3;4-8,10,13H,9,11H2,1-3H3;5-6,9,12H,7-8H2,1-4H3/t14-;13-;12-/m100/s1
• InChIKey: RAEIXGWSNZKCQJ-HSHXBCRHSA-N
• XLogP: 8.55
• TPSA: 183.93 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 21
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	935.16
LogP ≤ 5	8.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-pyridin-2-ylethanone?

The IUPAC name of 1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-pyridin-2-ylethanone (CID 160568026) is 1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-pyridin-2-ylethanone.

What is the SMILES notation for 1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-pyridin-2-ylethanone?

The canonical SMILES for 1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-pyridin-2-ylethanone is CO[C@@H](C)COc1cc(C)nc(C(=O)Cc2ccccn2)c1.CO[C@@H](C)COc1cc(C)nc(C(=O)Cc2nc(C)cs2)c1.CO[C@H](C)COc1cc(C)nc(C(=O)Cc2ccc(C)cn2)c1.

What is the InChIKey of 1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-pyridin-2-ylethanone?

The InChIKey is RAEIXGWSNZKCQJ-HSHXBCRHSA-N. The full InChI is InChI=1S/C18H22N2O3.C17H20N2O3.C16H20N2O3S/c1-12-5-6-15(19-10-12)8-18(21)17-9-16(7-13(2)20-17)23-11-14(3)22-4;1-12-8-15(22-11-13(2)21-3)10-16(19-12)17(20)9-14-6-4-5-7-18-14;1-10-5-13(21-8-12(3)20-4)6-14(17-10)15(19)7-16-18-11(2)9-22-16/h5-7,9-10,14H,8,11H2,1-4H3;4-8,10,13H,9,11H2,1-3H3;5-6,9,12H,7-8H2,1-4H3/t14-;13-;12-/m100/s1.

What are the key properties of 1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-pyridin-2-ylethanone?

1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-pyridin-2-ylethanone has a molecular weight of 935.16 g/mol, XLogP of 8.55, 21 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 160568026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).