1-methyl-N-[7-(pyrrolidine-1-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide

C19H28N4O2 — CID 118741157

IUPAC1-methyl-N-[7-(pyrrolidine-1-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCC23CCN(C(=O)N2CCCC2)CC3)c1
InChIInChI=1S/C19H28N4O2/c1-21-11-5-15(14-21)17(24)20-16-4-6-19(16)7-12-23(13-8-19)18(25)22-9-2-3-10-22/h5,11,14,16H,2-4,6-10,12-13H2,1H3,(H,20,24)
InChIKeyXMHWDAMRZNVZEY-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.22
Rot. Bonds2

About 1-methyl-N-[7-(pyrrolidine-1-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide

1-methyl-N-[7-(pyrrolidine-1-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide (PubChem CID 118741157) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-methyl-N-[7-(pyrrolidine-1-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[7-(pyrrolidine-1-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide
PubChem CID118741157
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-methyl-N-[7-(pyrrolidine-1-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCC23CCN(C(=O)N2CCCC2)CC3)c1
InChIInChI=1S/C19H28N4O2/c1-21-11-5-15(14-21)17(24)20-16-4-6-19(16)7-12-23(13-8-19)18(25)22-9-2-3-10-22/h5,11,14,16H,2-4,6-10,12-13H2,1H3,(H,20,24)
InChIKeyXMHWDAMRZNVZEY-UHFFFAOYSA-N
XLogP2.22
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-N-[7-(pyrrolidine-1-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-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 1-methyl-N-[7-(pyrrolidine-1-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide?
The IUPAC name of 1-methyl-N-[7-(pyrrolidine-1-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide (CID 118741157) is 1-methyl-N-[7-(pyrrolidine-1-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[7-(pyrrolidine-1-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[7-(pyrrolidine-1-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide is Cn1ccc(C(=O)NC2CCC23CCN(C(=O)N2CCCC2)CC3)c1.
What is the InChIKey of 1-methyl-N-[7-(pyrrolidine-1-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide?
The InChIKey is XMHWDAMRZNVZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-21-11-5-15(14-21)17(24)20-16-4-6-19(16)7-12-23(13-8-19)18(25)22-9-2-3-10-22/h5,11,14,16H,2-4,6-10,12-13H2,1H3,(H,20,24).
What are the key properties of 1-methyl-N-[7-(pyrrolidine-1-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide?
1-methyl-N-[7-(pyrrolidine-1-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[7-(pyrrolidine-1-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 118741157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).