(4-methylphenyl)methyl (4R)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

C21H20ClNO3 — CID 40645278

About (4-methylphenyl)methyl (4R)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

(4-methylphenyl)methyl (4R)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 40645278) has the molecular formula C21H20ClNO3 and a molecular weight of 369.85 g/mol. Its IUPAC name is (4-methylphenyl)methyl (4R)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

• Compound Name: (4-methylphenyl)methyl (4R)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
• PubChem CID: 40645278
• Molecular Formula: C21H20ClNO3
• Molecular Weight: 369.85 g/mol
• Exact Mass: 369.11
• IUPAC Name: (4-methylphenyl)methyl (4R)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
• SMILES: CC1=C(C(=O)OCc2ccc(C)cc2)[C@@H](c2cccc(Cl)c2)CC(=O)N1
• InChI: InChI=1S/C21H20ClNO3/c1-13-6-8-15(9-7-13)12-26-21(25)20-14(2)23-19(24)11-18(20)16-4-3-5-17(22)10-16/h3-10,18H,11-12H2,1-2H3,(H,23,24)/t18-/m1/s1
• InChIKey: ZRXQJBJJEPOEPS-GOSISDBHSA-N
• XLogP: 4.27
• TPSA: 55.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.85
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl (4R)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?

The IUPAC name of (4-methylphenyl)methyl (4R)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (CID 40645278) is (4-methylphenyl)methyl (4R)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.

What is the SMILES notation for (4-methylphenyl)methyl (4R)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?

The canonical SMILES for (4-methylphenyl)methyl (4R)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is CC1=C(C(=O)OCc2ccc(C)cc2)[C@@H](c2cccc(Cl)c2)CC(=O)N1.

What is the InChIKey of (4-methylphenyl)methyl (4R)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?

The InChIKey is ZRXQJBJJEPOEPS-GOSISDBHSA-N. The full InChI is InChI=1S/C21H20ClNO3/c1-13-6-8-15(9-7-13)12-26-21(25)20-14(2)23-19(24)11-18(20)16-4-3-5-17(22)10-16/h3-10,18H,11-12H2,1-2H3,(H,23,24)/t18-/m1/s1.

What are the key properties of (4-methylphenyl)methyl (4R)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?

(4-methylphenyl)methyl (4R)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 369.85 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methylphenyl)methyl (4R)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 40645278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).