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

C15H13N3O3 — CID 16953618

IUPACN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ncnc2c1CCC2)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H13N3O3/c19-15(9-4-5-12-13(6-9)21-8-20-12)18-14-10-2-1-3-11(10)16-7-17-14/h4-7H,1-3,8H2,(H,16,17,18,19)
InChIKeyTVSOAKOFENXCPD-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.95
Rot. Bonds2

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

N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 16953618) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID16953618
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ncnc2c1CCC2)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H13N3O3/c19-15(9-4-5-12-13(6-9)21-8-20-12)18-14-10-2-1-3-11(10)16-7-17-14/h4-7H,1-3,8H2,(H,16,17,18,19)
InChIKeyTVSOAKOFENXCPD-UHFFFAOYSA-N
XLogP1.95
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3-benzodioxole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3-benzodioxole-5-carboxamide (CID 16953618) is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3-benzodioxole-5-carboxamide is O=C(Nc1ncnc2c1CCC2)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is TVSOAKOFENXCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-15(9-4-5-12-13(6-9)21-8-20-12)18-14-10-2-1-3-11(10)16-7-17-14/h4-7H,1-3,8H2,(H,16,17,18,19).
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3-benzodioxole-5-carboxamide?
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 16953618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).