2-N-(1-pyrrolidin-3-ylcyclopropyl)-1H-pyrrole-2,5-dicarboxamide

C13H18N4O2 — CID 154855445

IUPAC2-N-(1-pyrrolidin-3-ylcyclopropyl)-1H-pyrrole-2,5-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NC2(C3CCNC3)CC2)[nH]1
InChIInChI=1S/C13H18N4O2/c14-11(18)9-1-2-10(16-9)12(19)17-13(4-5-13)8-3-6-15-7-8/h1-2,8,15-16H,3-7H2,(H2,14,18)(H,17,19)
InChIKeyYFQIDBFMXRQKNK-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.01
Rot. Bonds4

About 2-N-(1-pyrrolidin-3-ylcyclopropyl)-1H-pyrrole-2,5-dicarboxamide

2-N-(1-pyrrolidin-3-ylcyclopropyl)-1H-pyrrole-2,5-dicarboxamide (PubChem CID 154855445) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-N-(1-pyrrolidin-3-ylcyclopropyl)-1H-pyrrole-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-(1-pyrrolidin-3-ylcyclopropyl)-1H-pyrrole-2,5-dicarboxamide
PubChem CID154855445
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-N-(1-pyrrolidin-3-ylcyclopropyl)-1H-pyrrole-2,5-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NC2(C3CCNC3)CC2)[nH]1
InChIInChI=1S/C13H18N4O2/c14-11(18)9-1-2-10(16-9)12(19)17-13(4-5-13)8-3-6-15-7-8/h1-2,8,15-16H,3-7H2,(H2,14,18)(H,17,19)
InChIKeyYFQIDBFMXRQKNK-UHFFFAOYSA-N
XLogP-0.01
TPSA100.01 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-N-(1-pyrrolidin-3-ylcyclopropyl)-1H-pyrrole-2,5-dicarboxamide 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 2-N-(1-pyrrolidin-3-ylcyclopropyl)-1H-pyrrole-2,5-dicarboxamide?
The IUPAC name of 2-N-(1-pyrrolidin-3-ylcyclopropyl)-1H-pyrrole-2,5-dicarboxamide (CID 154855445) is 2-N-(1-pyrrolidin-3-ylcyclopropyl)-1H-pyrrole-2,5-dicarboxamide.
What is the SMILES notation for 2-N-(1-pyrrolidin-3-ylcyclopropyl)-1H-pyrrole-2,5-dicarboxamide?
The canonical SMILES for 2-N-(1-pyrrolidin-3-ylcyclopropyl)-1H-pyrrole-2,5-dicarboxamide is NC(=O)c1ccc(C(=O)NC2(C3CCNC3)CC2)[nH]1.
What is the InChIKey of 2-N-(1-pyrrolidin-3-ylcyclopropyl)-1H-pyrrole-2,5-dicarboxamide?
The InChIKey is YFQIDBFMXRQKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-11(18)9-1-2-10(16-9)12(19)17-13(4-5-13)8-3-6-15-7-8/h1-2,8,15-16H,3-7H2,(H2,14,18)(H,17,19).
What are the key properties of 2-N-(1-pyrrolidin-3-ylcyclopropyl)-1H-pyrrole-2,5-dicarboxamide?
2-N-(1-pyrrolidin-3-ylcyclopropyl)-1H-pyrrole-2,5-dicarboxamide has a molecular weight of 262.31 g/mol, XLogP of -0.01, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-pyrrolidin-3-ylcyclopropyl)-1H-pyrrole-2,5-dicarboxamide is sourced from PubChem (CID 154855445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).