3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-methylimidazolidin-2-one

C29H34N6O3 — CID 71252188

About 3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-methylimidazolidin-2-one

3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-methylimidazolidin-2-one (PubChem CID 71252188) has the molecular formula C29H34N6O3 and a molecular weight of 514.63 g/mol. Its IUPAC name is 3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-methylimidazolidin-2-one.

Molecular Properties

• Compound Name: 3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-methylimidazolidin-2-one
• PubChem CID: 71252188
• Molecular Formula: C29H34N6O3
• Molecular Weight: 514.63 g/mol
• Exact Mass: 514.27
• IUPAC Name: 3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-methylimidazolidin-2-one
• SMILES: COc1ccc(CN2CC(C)N(c3ccc(C(=O)N4CCN(c5ncc(C)cc5C)CC4)cn3)C2=O)cc1
• InChI: InChI=1S/C29H34N6O3/c1-20-15-21(2)27(31-16-20)32-11-13-33(14-12-32)28(36)24-7-10-26(30-17-24)35-22(3)18-34(29(35)37)19-23-5-8-25(38-4)9-6-23/h5-10,15-17,22H,11-14,18-19H2,1-4H3
• InChIKey: VHTBUFYSROIVCS-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 82.11 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.63
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-methylimidazolidin-2-one?

The IUPAC name of 3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-methylimidazolidin-2-one (CID 71252188) is 3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-methylimidazolidin-2-one.

What is the SMILES notation for 3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-methylimidazolidin-2-one?

The canonical SMILES for 3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-methylimidazolidin-2-one is COc1ccc(CN2CC(C)N(c3ccc(C(=O)N4CCN(c5ncc(C)cc5C)CC4)cn3)C2=O)cc1.

What is the InChIKey of 3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-methylimidazolidin-2-one?

The InChIKey is VHTBUFYSROIVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O3/c1-20-15-21(2)27(31-16-20)32-11-13-33(14-12-32)28(36)24-7-10-26(30-17-24)35-22(3)18-34(29(35)37)19-23-5-8-25(38-4)9-6-23/h5-10,15-17,22H,11-14,18-19H2,1-4H3.

What are the key properties of 3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-methylimidazolidin-2-one?

3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-methylimidazolidin-2-one has a molecular weight of 514.63 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-methylimidazolidin-2-one is sourced from PubChem (CID 71252188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).