5-[(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide

C14H21N3O2 — CID 167889281

IUPAC5-[(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide
SMILESCN(C)C(=O)c1ccc(CN2CC(O)C3(CC3)C2)[nH]1
InChIInChI=1S/C14H21N3O2/c1-16(2)13(19)11-4-3-10(15-11)7-17-8-12(18)14(9-17)5-6-14/h3-4,12,15,18H,5-9H2,1-2H3
InChIKeyLKHRQGMLJUFSEZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.67
Rot. Bonds3

About 5-[(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide

5-[(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 167889281) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-[(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-[(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID167889281
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-[(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide
SMILESCN(C)C(=O)c1ccc(CN2CC(O)C3(CC3)C2)[nH]1
InChIInChI=1S/C14H21N3O2/c1-16(2)13(19)11-4-3-10(15-11)7-17-8-12(18)14(9-17)5-6-14/h3-4,12,15,18H,5-9H2,1-2H3
InChIKeyLKHRQGMLJUFSEZ-UHFFFAOYSA-N
XLogP0.67
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-[(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide (CID 167889281) is 5-[(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-[(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-[(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide is CN(C)C(=O)c1ccc(CN2CC(O)C3(CC3)C2)[nH]1.
What is the InChIKey of 5-[(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is LKHRQGMLJUFSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16(2)13(19)11-4-3-10(15-11)7-17-8-12(18)14(9-17)5-6-14/h3-4,12,15,18H,5-9H2,1-2H3.
What are the key properties of 5-[(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide?
5-[(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 167889281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).