N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2,3-dimethoxybenzamide

C24H24N4O4 — CID 53187542

IUPACN-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)C3=O)nc2)c1OC
InChIInChI=1S/C24H24N4O4/c1-31-20-10-6-9-19(22(20)32-2)23(29)26-18-11-12-21(25-15-18)28-14-13-27(24(28)30)16-17-7-4-3-5-8-17/h3-12,15H,13-14,16H2,1-2H3,(H,26,29)
InChIKeyYATXOXNOUITZPW-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.79
Rot. Bonds7

About N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2,3-dimethoxybenzamide

N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2,3-dimethoxybenzamide (PubChem CID 53187542) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2,3-dimethoxybenzamide
PubChem CID53187542
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)C3=O)nc2)c1OC
InChIInChI=1S/C24H24N4O4/c1-31-20-10-6-9-19(22(20)32-2)23(29)26-18-11-12-21(25-15-18)28-14-13-27(24(28)30)16-17-7-4-3-5-8-17/h3-12,15H,13-14,16H2,1-2H3,(H,26,29)
InChIKeyYATXOXNOUITZPW-UHFFFAOYSA-N
XLogP3.79
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2,3-dimethoxybenzamide (CID 53187542) is N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)C3=O)nc2)c1OC.
What is the InChIKey of N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2,3-dimethoxybenzamide?
The InChIKey is YATXOXNOUITZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-31-20-10-6-9-19(22(20)32-2)23(29)26-18-11-12-21(25-15-18)28-14-13-27(24(28)30)16-17-7-4-3-5-8-17/h3-12,15H,13-14,16H2,1-2H3,(H,26,29).
What are the key properties of N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2,3-dimethoxybenzamide?
N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2,3-dimethoxybenzamide has a molecular weight of 432.48 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 53187542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).