2-chloro-5-fluoro-6-[[(1S)-2-methyl-1-phenylpropyl]amino]pyridine-3-carbonitrile;N-methoxy-N,2-dimethylpropanamide;(1S)-2-methyl-1-phenylpropan-1-amine;2-methyl-1-phenylpropan-1-ol;2-[(1S)-2-methyl-1-phenylpropyl]isoindole-1,3-dione

C60H74ClFN6O5 — CID 158217889

About 2-chloro-5-fluoro-6-[[(1S)-2-methyl-1-phenylpropyl]amino]pyridine-3-carbonitrile;N-methoxy-N,2-dimethylpropanamide;(1S)-2-methyl-1-phenylpropan-1-amine;2-methyl-1-phenylpropan-1-ol;2-[(1S)-2-methyl-1-phenylpropyl]isoindole-1,3-dione

2-chloro-5-fluoro-6-[[(1S)-2-methyl-1-phenylpropyl]amino]pyridine-3-carbonitrile;N-methoxy-N,2-dimethylpropanamide;(1S)-2-methyl-1-phenylpropan-1-amine;2-methyl-1-phenylpropan-1-ol;2-[(1S)-2-methyl-1-phenylpropyl]isoindole-1,3-dione (PubChem CID 158217889) has the molecular formula C60H74ClFN6O5 and a molecular weight of 1013.74 g/mol. Its IUPAC name is 2-chloro-5-fluoro-6-[[(1S)-2-methyl-1-phenylpropyl]amino]pyridine-3-carbonitrile;N-methoxy-N,2-dimethylpropanamide;(1S)-2-methyl-1-phenylpropan-1-amine;2-methyl-1-phenylpropan-1-ol;2-[(1S)-2-methyl-1-phenylpropyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-chloro-5-fluoro-6-[[(1S)-2-methyl-1-phenylpropyl]amino]pyridine-3-carbonitrile;N-methoxy-N,2-dimethylpropanamide;(1S)-2-methyl-1-phenylpropan-1-amine;2-methyl-1-phenylpropan-1-ol;2-[(1S)-2-methyl-1-phenylpropyl]isoindole-1,3-dione
• PubChem CID: 158217889
• Molecular Formula: C60H74ClFN6O5
• Molecular Weight: 1013.74 g/mol
• Exact Mass: 1012.54
• IUPAC Name: 2-chloro-5-fluoro-6-[[(1S)-2-methyl-1-phenylpropyl]amino]pyridine-3-carbonitrile;N-methoxy-N,2-dimethylpropanamide;(1S)-2-methyl-1-phenylpropan-1-amine;2-methyl-1-phenylpropan-1-ol;2-[(1S)-2-methyl-1-phenylpropyl]isoindole-1,3-dione
• SMILES: CC(C)C(O)c1ccccc1.CC(C)C(c1ccccc1)N1C(=O)c2ccccc2C1=O.CC(C)[C@H](N)c1ccccc1.CC(C)[C@H](Nc1nc(Cl)c(C#N)cc1F)c1ccccc1.CON(C)C(=O)C(C)C
• InChI: InChI=1S/C18H17NO2.C16H15ClFN3.C10H15N.C10H14O.C6H13NO2/c1-12(2)16(13-8-4-3-5-9-13)19-17(20)14-10-6-7-11-15(14)18(19)21;1-10(2)14(11-6-4-3-5-7-11)20-16-13(18)8-12(9-19)15(17)21-16;2*1-8(2)10(11)9-6-4-3-5-7-9;1-5(2)6(8)7(3)9-4/h3-12,16H,1-2H3;3-8,10,14H,1-2H3,(H,20,21);3-8,10H,11H2,1-2H3;3-8,10-11H,1-2H3;5H,1-4H3/t;14-;10-;;/m.00../s1
• InChIKey: GCWQBUYVZKOBNP-ZZZXMLCWSA-N
• XLogP: 13.62
• TPSA: 161.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1013.74
LogP ≤ 5	13.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-6-[[(1S)-2-methyl-1-phenylpropyl]amino]pyridine-3-carbonitrile;N-methoxy-N,2-dimethylpropanamide;(1S)-2-methyl-1-phenylpropan-1-amine;2-methyl-1-phenylpropan-1-ol;2-[(1S)-2-methyl-1-phenylpropyl]isoindole-1,3-dione?

The IUPAC name of 2-chloro-5-fluoro-6-[[(1S)-2-methyl-1-phenylpropyl]amino]pyridine-3-carbonitrile;N-methoxy-N,2-dimethylpropanamide;(1S)-2-methyl-1-phenylpropan-1-amine;2-methyl-1-phenylpropan-1-ol;2-[(1S)-2-methyl-1-phenylpropyl]isoindole-1,3-dione (CID 158217889) is 2-chloro-5-fluoro-6-[[(1S)-2-methyl-1-phenylpropyl]amino]pyridine-3-carbonitrile;N-methoxy-N,2-dimethylpropanamide;(1S)-2-methyl-1-phenylpropan-1-amine;2-methyl-1-phenylpropan-1-ol;2-[(1S)-2-methyl-1-phenylpropyl]isoindole-1,3-dione.

What is the SMILES notation for 2-chloro-5-fluoro-6-[[(1S)-2-methyl-1-phenylpropyl]amino]pyridine-3-carbonitrile;N-methoxy-N,2-dimethylpropanamide;(1S)-2-methyl-1-phenylpropan-1-amine;2-methyl-1-phenylpropan-1-ol;2-[(1S)-2-methyl-1-phenylpropyl]isoindole-1,3-dione?

The canonical SMILES for 2-chloro-5-fluoro-6-[[(1S)-2-methyl-1-phenylpropyl]amino]pyridine-3-carbonitrile;N-methoxy-N,2-dimethylpropanamide;(1S)-2-methyl-1-phenylpropan-1-amine;2-methyl-1-phenylpropan-1-ol;2-[(1S)-2-methyl-1-phenylpropyl]isoindole-1,3-dione is CC(C)C(O)c1ccccc1.CC(C)C(c1ccccc1)N1C(=O)c2ccccc2C1=O.CC(C)[C@H](N)c1ccccc1.CC(C)[C@H](Nc1nc(Cl)c(C#N)cc1F)c1ccccc1.CON(C)C(=O)C(C)C.

What is the InChIKey of 2-chloro-5-fluoro-6-[[(1S)-2-methyl-1-phenylpropyl]amino]pyridine-3-carbonitrile;N-methoxy-N,2-dimethylpropanamide;(1S)-2-methyl-1-phenylpropan-1-amine;2-methyl-1-phenylpropan-1-ol;2-[(1S)-2-methyl-1-phenylpropyl]isoindole-1,3-dione?

The InChIKey is GCWQBUYVZKOBNP-ZZZXMLCWSA-N. The full InChI is InChI=1S/C18H17NO2.C16H15ClFN3.C10H15N.C10H14O.C6H13NO2/c1-12(2)16(13-8-4-3-5-9-13)19-17(20)14-10-6-7-11-15(14)18(19)21;1-10(2)14(11-6-4-3-5-7-11)20-16-13(18)8-12(9-19)15(17)21-16;2*1-8(2)10(11)9-6-4-3-5-7-9;1-5(2)6(8)7(3)9-4/h3-12,16H,1-2H3;3-8,10,14H,1-2H3,(H,20,21);3-8,10H,11H2,1-2H3;3-8,10-11H,1-2H3;5H,1-4H3/t;14-;10-;;/m.00../s1.

What are the key properties of 2-chloro-5-fluoro-6-[[(1S)-2-methyl-1-phenylpropyl]amino]pyridine-3-carbonitrile;N-methoxy-N,2-dimethylpropanamide;(1S)-2-methyl-1-phenylpropan-1-amine;2-methyl-1-phenylpropan-1-ol;2-[(1S)-2-methyl-1-phenylpropyl]isoindole-1,3-dione?

2-chloro-5-fluoro-6-[[(1S)-2-methyl-1-phenylpropyl]amino]pyridine-3-carbonitrile;N-methoxy-N,2-dimethylpropanamide;(1S)-2-methyl-1-phenylpropan-1-amine;2-methyl-1-phenylpropan-1-ol;2-[(1S)-2-methyl-1-phenylpropyl]isoindole-1,3-dione has a molecular weight of 1013.74 g/mol, XLogP of 13.62, 13 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-fluoro-6-[[(1S)-2-methyl-1-phenylpropyl]amino]pyridine-3-carbonitrile;N-methoxy-N,2-dimethylpropanamide;(1S)-2-methyl-1-phenylpropan-1-amine;2-methyl-1-phenylpropan-1-ol;2-[(1S)-2-methyl-1-phenylpropyl]isoindole-1,3-dione is sourced from PubChem (CID 158217889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).