3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea

C19H24FN3O — CID 126428727

About 3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea

3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea (PubChem CID 126428727) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea.

Molecular Properties

• Compound Name: 3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea
• PubChem CID: 126428727
• Molecular Formula: C19H24FN3O
• Molecular Weight: 329.42 g/mol
• Exact Mass: 329.19
• IUPAC Name: 3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea
• SMILES: Cc1ccnc(C[C@H](C)N(C)C(=O)NCc2ccc(C)c(F)c2)c1
• InChI: InChI=1S/C19H24FN3O/c1-13-7-8-21-17(9-13)10-15(3)23(4)19(24)22-12-16-6-5-14(2)18(20)11-16/h5-9,11,15H,10,12H2,1-4H3,(H,22,24)/t15-/m0/s1
• InChIKey: WUDGSQGNXDNJJE-HNNXBMFYSA-N
• XLogP: 3.61
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.42
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea?

The IUPAC name of 3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea (CID 126428727) is 3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea.

What is the SMILES notation for 3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea?

The canonical SMILES for 3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea is Cc1ccnc(C[C@H](C)N(C)C(=O)NCc2ccc(C)c(F)c2)c1.

What is the InChIKey of 3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea?

The InChIKey is WUDGSQGNXDNJJE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-13-7-8-21-17(9-13)10-15(3)23(4)19(24)22-12-16-6-5-14(2)18(20)11-16/h5-9,11,15H,10,12H2,1-4H3,(H,22,24)/t15-/m0/s1.

What are the key properties of 3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea?

3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea has a molecular weight of 329.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea is sourced from PubChem (CID 126428727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).