2-(2-methoxyethoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide

C20H22N2O5 — CID 55997077

IUPAC2-(2-methoxyethoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide
SMILESCOCCOc1ncccc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2
InChIInChI=1S/C20H22N2O5/c1-24-11-12-25-19-15(5-4-10-21-19)18(23)22-14-6-7-16-17(13-14)27-20(26-16)8-2-3-9-20/h4-7,10,13H,2-3,8-9,11-12H2,1H3,(H,22,23)
InChIKeyQNUQTBGJPMJCNP-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.40
Rot. Bonds6

About 2-(2-methoxyethoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide

2-(2-methoxyethoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide (PubChem CID 55997077) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide
PubChem CID55997077
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name2-(2-methoxyethoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide
SMILESCOCCOc1ncccc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2
InChIInChI=1S/C20H22N2O5/c1-24-11-12-25-19-15(5-4-10-21-19)18(23)22-14-6-7-16-17(13-14)27-20(26-16)8-2-3-9-20/h4-7,10,13H,2-3,8-9,11-12H2,1H3,(H,22,23)
InChIKeyQNUQTBGJPMJCNP-UHFFFAOYSA-N
XLogP3.40
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide
CID 26757505
2-ethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 42280414
2-(difluoromethylsulfanyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide
CID 24647229
4-(methoxymethyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 42280468
2,3-dimethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 29293162
2-iodo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 26757516
2-bromo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 24563091
2-(2-methoxyethoxy)-N-quinolin-6-ylpyridine-3-carboxamide
CID 60573798
6-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide
CID 51333086
N-(9H-fluoren-2-yl)-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 60567215
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 35906655
3-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 26173901

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide (CID 55997077) is 2-(2-methoxyethoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide is COCCOc1ncccc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2.
What is the InChIKey of 2-(2-methoxyethoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide?
The InChIKey is QNUQTBGJPMJCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-24-11-12-25-19-15(5-4-10-21-19)18(23)22-14-6-7-16-17(13-14)27-20(26-16)8-2-3-9-20/h4-7,10,13H,2-3,8-9,11-12H2,1H3,(H,22,23).
What are the key properties of 2-(2-methoxyethoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide?
2-(2-methoxyethoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide is sourced from PubChem (CID 55997077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).