1-[1-[(2,4-dichlorophenyl)methyl]-4-methyl-2-oxo-3-pyridinyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea

C24H25Cl2N3O2 — CID 150767864

About 1-[1-[(2,4-dichlorophenyl)methyl]-4-methyl-2-oxo-3-pyridinyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea

1-[1-[(2,4-dichlorophenyl)methyl]-4-methyl-2-oxo-3-pyridinyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea (PubChem CID 150767864) has the molecular formula C24H25Cl2N3O2 and a molecular weight of 458.39 g/mol. Its IUPAC name is 1-[1-[(2,4-dichlorophenyl)methyl]-4-methyl-2-oxo-3-pyridinyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea.

Molecular Properties

• Compound Name: 1-[1-[(2,4-dichlorophenyl)methyl]-4-methyl-2-oxo-3-pyridinyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea
• PubChem CID: 150767864
• Molecular Formula: C24H25Cl2N3O2
• Molecular Weight: 458.39 g/mol
• Exact Mass: 457.13
• IUPAC Name: 1-[1-[(2,4-dichlorophenyl)methyl]-4-methyl-2-oxo-3-pyridinyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea
• SMILES: CC[C@H](NC(=O)Nc1c(C)ccn(Cc2ccc(Cl)cc2Cl)c1=O)c1ccc(C)cc1
• InChI: InChI=1S/C24H25Cl2N3O2/c1-4-21(17-7-5-15(2)6-8-17)27-24(31)28-22-16(3)11-12-29(23(22)30)14-18-9-10-19(25)13-20(18)26/h5-13,21H,4,14H2,1-3H3,(H2,27,28,31)/t21-/m0/s1
• InChIKey: JZFLIYAZPVEADM-NRFANRHFSA-N
• XLogP: 6.09
• TPSA: 63.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.39
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4-dichlorophenyl)methyl]-4-methyl-2-oxo-3-pyridinyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea?

The IUPAC name of 1-[1-[(2,4-dichlorophenyl)methyl]-4-methyl-2-oxo-3-pyridinyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea (CID 150767864) is 1-[1-[(2,4-dichlorophenyl)methyl]-4-methyl-2-oxo-3-pyridinyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea.

What is the SMILES notation for 1-[1-[(2,4-dichlorophenyl)methyl]-4-methyl-2-oxo-3-pyridinyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea?

The canonical SMILES for 1-[1-[(2,4-dichlorophenyl)methyl]-4-methyl-2-oxo-3-pyridinyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea is CC[C@H](NC(=O)Nc1c(C)ccn(Cc2ccc(Cl)cc2Cl)c1=O)c1ccc(C)cc1.

What is the InChIKey of 1-[1-[(2,4-dichlorophenyl)methyl]-4-methyl-2-oxo-3-pyridinyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea?

The InChIKey is JZFLIYAZPVEADM-NRFANRHFSA-N. The full InChI is InChI=1S/C24H25Cl2N3O2/c1-4-21(17-7-5-15(2)6-8-17)27-24(31)28-22-16(3)11-12-29(23(22)30)14-18-9-10-19(25)13-20(18)26/h5-13,21H,4,14H2,1-3H3,(H2,27,28,31)/t21-/m0/s1.

What are the key properties of 1-[1-[(2,4-dichlorophenyl)methyl]-4-methyl-2-oxo-3-pyridinyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea?

1-[1-[(2,4-dichlorophenyl)methyl]-4-methyl-2-oxo-3-pyridinyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea has a molecular weight of 458.39 g/mol, XLogP of 6.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(2,4-dichlorophenyl)methyl]-4-methyl-2-oxo-3-pyridinyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea is sourced from PubChem (CID 150767864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).