1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 167829729) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name	1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
PubChem CID	167829729
Molecular Formula	C23H24N4O3
Molecular Weight	404.47 g/mol
Exact Mass	404.18
IUPAC Name	1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
SMILES	Cc1cc(C(=O)NCc2ncc3c(n2)CCC3)c(C)n1-c1ccc2c(c1)OCCO2
InChI	InChI=1S/C23H24N4O3/c1-14-10-18(23(28)25-13-22-24-12-16-4-3-5-19(16)26-22)15(2)27(14)17-6-7-20-21(11-17)30-9-8-29-20/h6-7,10-12H,3-5,8-9,13H2,1-2H3,(H,25,28)
InChIKey	WIYTUIHOUKNOAB-UHFFFAOYSA-N
XLogP	3.07
TPSA	78.27 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.47
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?

The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide (CID 167829729) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide.

What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?

The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)NCc2ncc3c(n2)CCC3)c(C)n1-c1ccc2c(c1)OCCO2.

What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?

The InChIKey is WIYTUIHOUKNOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-14-10-18(23(28)25-13-22-24-12-16-4-3-5-19(16)26-22)15(2)27(14)17-6-7-20-21(11-17)30-9-8-29-20/h6-7,10-12H,3-5,8-9,13H2,1-2H3,(H,25,28).

What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 167829729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).