1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea

C21H26N4O3 — CID 72901304

About 1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea

1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea (PubChem CID 72901304) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
• PubChem CID: 72901304
• Molecular Formula: C21H26N4O3
• Molecular Weight: 382.46 g/mol
• Exact Mass: 382.20
• IUPAC Name: 1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
• SMILES: COc1nc(C)cc(C)c1CNC(=O)Nc1cccc(N2C(=O)CCC2C)c1
• InChI: InChI=1S/C21H26N4O3/c1-13-10-14(2)23-20(28-4)18(13)12-22-21(27)24-16-6-5-7-17(11-16)25-15(3)8-9-19(25)26/h5-7,10-11,15H,8-9,12H2,1-4H3,(H2,22,24,27)
• InChIKey: CGMAWZGJXFTSNL-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.46
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea?

The IUPAC name of 1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea (CID 72901304) is 1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea.

What is the SMILES notation for 1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea?

The canonical SMILES for 1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea is COc1nc(C)cc(C)c1CNC(=O)Nc1cccc(N2C(=O)CCC2C)c1.

What is the InChIKey of 1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea?

The InChIKey is CGMAWZGJXFTSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-13-10-14(2)23-20(28-4)18(13)12-22-21(27)24-16-6-5-7-17(11-16)25-15(3)8-9-19(25)26/h5-7,10-11,15H,8-9,12H2,1-4H3,(H2,22,24,27).

What are the key properties of 1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea?

1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea has a molecular weight of 382.46 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea is sourced from PubChem (CID 72901304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).