(3S)-4-[6-(3,5-difluoro-2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(2-fluorophenyl)-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

C69H79F3N8O5 — CID 157399274

About (3S)-4-[6-(3,5-difluoro-2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(2-fluorophenyl)-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-(3,5-difluoro-2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(2-fluorophenyl)-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 157399274) has the molecular formula C69H79F3N8O5 and a molecular weight of 1157.44 g/mol. Its IUPAC name is (3S)-4-[6-(3,5-difluoro-2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(2-fluorophenyl)-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-(3,5-difluoro-2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(2-fluorophenyl)-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: 157399274
• Molecular Formula: C69H79F3N8O5
• Molecular Weight: 1157.44 g/mol
• Exact Mass: 1156.61
• IUPAC Name: (3S)-4-[6-(3,5-difluoro-2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(2-fluorophenyl)-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(-c2cc(F)cc(F)c2OC)nc1)C(C)=O.CN[C@@H](Cc1ccc(-c2cccc(C)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
• InChI: InChI=1S/C19H24N2O.C17H18F2N2O2.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;1-10(22)16(20-2)6-11-4-5-15(21-9-11)13-7-12(18)8-14(19)17(13)23-3;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;4-5,7-9,16,20H,6H2,1-3H3;4-9,11,17-18H,10H2,1-3H3;3-8,10,16,18H,9H2,1-2H3/t19-;16-;17-;16-/m0000/s1
• InChIKey: BMYHVOUBJAUMBY-WBWZURSOSA-N
• XLogP: 11.73
• TPSA: 177.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 22
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1157.44
LogP ≤ 5	11.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[6-(3,5-difluoro-2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(2-fluorophenyl)-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-(3,5-difluoro-2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(2-fluorophenyl)-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 157399274) is (3S)-4-[6-(3,5-difluoro-2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(2-fluorophenyl)-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-(3,5-difluoro-2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(2-fluorophenyl)-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-(3,5-difluoro-2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(2-fluorophenyl)-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(-c2cc(F)cc(F)c2OC)nc1)C(C)=O.CN[C@@H](Cc1ccc(-c2cccc(C)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.

What is the InChIKey of (3S)-4-[6-(3,5-difluoro-2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(2-fluorophenyl)-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 BMYHVOUBJAUMBY-WBWZURSOSA-N. The full InChI is InChI=1S/C19H24N2O.C17H18F2N2O2.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;1-10(22)16(20-2)6-11-4-5-15(21-9-11)13-7-12(18)8-14(19)17(13)23-3;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;4-5,7-9,16,20H,6H2,1-3H3;4-9,11,17-18H,10H2,1-3H3;3-8,10,16,18H,9H2,1-2H3/t19-;16-;17-;16-/m0000/s1.

What are the key properties of (3S)-4-[6-(3,5-difluoro-2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(2-fluorophenyl)-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-(3,5-difluoro-2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(2-fluorophenyl)-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 1157.44 g/mol, XLogP of 11.73, 22 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-4-[6-(3,5-difluoro-2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(2-fluorophenyl)-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 157399274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).