(3S)-4-[6-(2-fluorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-(3-methylphenyl)-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-(2-propan-2-ylphenyl)-3-pyridinyl]butan-2-one

C86H101FN10O7 — CID 161114966

About (3S)-4-[6-(2-fluorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-(3-methylphenyl)-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-(2-propan-2-ylphenyl)-3-pyridinyl]butan-2-one

(3S)-4-[6-(2-fluorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-(3-methylphenyl)-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-(2-propan-2-ylphenyl)-3-pyridinyl]butan-2-one (PubChem CID 161114966) has the molecular formula C86H101FN10O7 and a molecular weight of 1405.81 g/mol. Its IUPAC name is (3S)-4-[6-(2-fluorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-(3-methylphenyl)-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-(2-propan-2-ylphenyl)-3-pyridinyl]butan-2-one.

Molecular Properties

• Compound Name: (3S)-4-[6-(2-fluorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-(3-methylphenyl)-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-(2-propan-2-ylphenyl)-3-pyridinyl]butan-2-one
• PubChem CID: 161114966
• Molecular Formula: C86H101FN10O7
• Molecular Weight: 1405.81 g/mol
• Exact Mass: 1404.78
• IUPAC Name: (3S)-4-[6-(2-fluorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-(3-methylphenyl)-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-(2-propan-2-ylphenyl)-3-pyridinyl]butan-2-one
• SMILES: CN[C@@H](Cc1ccc(-c2cccc(C)c2)nc1)C(C)=O.CN[C@@H](Cc1ccc(-c2cccc(OC)c2)nc1)C(C)=O.CN[C@@H](Cc1ccc(-c2ccccc2C(C)C)nc1)C(C)=O.CN[C@@H](Cc1ccc(-c2ccccc2F)nc1)C(C)=O.CN[C@@H](Cc1ccc(-c2ccccc2OC)nc1)C(C)=O
• InChI: InChI=1S/C19H24N2O.2C17H20N2O2.C17H20N2O.C16H17FN2O/c1-13(2)16-7-5-6-8-17(16)18-10-9-15(12-21-18)11-19(20-4)14(3)22;1-12(20)17(18-2)9-13-7-8-16(19-11-13)14-5-4-6-15(10-14)21-3;1-12(20)16(18-2)10-13-8-9-15(19-11-13)14-6-4-5-7-17(14)21-3;1-12-5-4-6-15(9-12)16-8-7-14(11-19-16)10-17(18-3)13(2)20;1-11(20)16(18-2)9-12-7-8-15(19-10-12)13-5-3-4-6-14(13)17/h5-10,12-13,19-20H,11H2,1-4H3;4-8,10-11,17-18H,9H2,1-3H3;4-9,11,16,18H,10H2,1-3H3;4-9,11,17-18H,10H2,1-3H3;3-8,10,16,18H,9H2,1-2H3/t19-;17-;16-;17-;16-/m00000/s1
• InChIKey: UKEQOYOSHVECGX-PKAXFWALSA-N
• XLogP: 13.93
• TPSA: 228.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 28
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1405.81
LogP ≤ 5	13.93
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[6-(2-fluorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-(3-methylphenyl)-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-(2-propan-2-ylphenyl)-3-pyridinyl]butan-2-one?

The IUPAC name of (3S)-4-[6-(2-fluorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-(3-methylphenyl)-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-(2-propan-2-ylphenyl)-3-pyridinyl]butan-2-one (CID 161114966) is (3S)-4-[6-(2-fluorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-(3-methylphenyl)-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-(2-propan-2-ylphenyl)-3-pyridinyl]butan-2-one.

What is the SMILES notation for (3S)-4-[6-(2-fluorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-(3-methylphenyl)-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-(2-propan-2-ylphenyl)-3-pyridinyl]butan-2-one?

The canonical SMILES for (3S)-4-[6-(2-fluorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-(3-methylphenyl)-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-(2-propan-2-ylphenyl)-3-pyridinyl]butan-2-one is CN[C@@H](Cc1ccc(-c2cccc(C)c2)nc1)C(C)=O.CN[C@@H](Cc1ccc(-c2cccc(OC)c2)nc1)C(C)=O.CN[C@@H](Cc1ccc(-c2ccccc2C(C)C)nc1)C(C)=O.CN[C@@H](Cc1ccc(-c2ccccc2F)nc1)C(C)=O.CN[C@@H](Cc1ccc(-c2ccccc2OC)nc1)C(C)=O.

What is the InChIKey of (3S)-4-[6-(2-fluorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-(3-methylphenyl)-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-(2-propan-2-ylphenyl)-3-pyridinyl]butan-2-one?

The InChIKey is UKEQOYOSHVECGX-PKAXFWALSA-N. The full InChI is InChI=1S/C19H24N2O.2C17H20N2O2.C17H20N2O.C16H17FN2O/c1-13(2)16-7-5-6-8-17(16)18-10-9-15(12-21-18)11-19(20-4)14(3)22;1-12(20)17(18-2)9-13-7-8-16(19-11-13)14-5-4-6-15(10-14)21-3;1-12(20)16(18-2)10-13-8-9-15(19-11-13)14-6-4-5-7-17(14)21-3;1-12-5-4-6-15(9-12)16-8-7-14(11-19-16)10-17(18-3)13(2)20;1-11(20)16(18-2)9-12-7-8-15(19-10-12)13-5-3-4-6-14(13)17/h5-10,12-13,19-20H,11H2,1-4H3;4-8,10-11,17-18H,9H2,1-3H3;4-9,11,16,18H,10H2,1-3H3;4-9,11,17-18H,10H2,1-3H3;3-8,10,16,18H,9H2,1-2H3/t19-;17-;16-;17-;16-/m00000/s1.

What are the key properties of (3S)-4-[6-(2-fluorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-(3-methylphenyl)-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-(2-propan-2-ylphenyl)-3-pyridinyl]butan-2-one?

(3S)-4-[6-(2-fluorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-(3-methylphenyl)-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-(2-propan-2-ylphenyl)-3-pyridinyl]butan-2-one has a molecular weight of 1405.81 g/mol, XLogP of 13.93, 28 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-4-[6-(2-fluorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-(3-methylphenyl)-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-(2-propan-2-ylphenyl)-3-pyridinyl]butan-2-one is sourced from PubChem (CID 161114966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).