2-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide

C17H15ClN2O3 — CID 26757505

IUPAC2-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccnc1Cl
InChIInChI=1S/C17H15ClN2O3/c18-15-12(4-3-9-19-15)16(21)20-11-5-6-13-14(10-11)23-17(22-13)7-1-2-8-17/h3-6,9-10H,1-2,7-8H2,(H,20,21)
InChIKeyVGTJAOSNDORSJK-UHFFFAOYSA-N
MW330.77 g/mol
LogP4.03
Rot. Bonds2

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

2-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide (PubChem CID 26757505) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 2-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide
PubChem CID26757505
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name2-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccnc1Cl
InChIInChI=1S/C17H15ClN2O3/c18-15-12(4-3-9-19-15)16(21)20-11-5-6-13-14(10-11)23-17(22-13)7-1-2-8-17/h3-6,9-10H,1-2,7-8H2,(H,20,21)
InChIKeyVGTJAOSNDORSJK-UHFFFAOYSA-N
XLogP4.03
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide
CID 55997077
2-(difluoromethylsulfanyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide
CID 24647229
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
(2R)-N-(2-chloro-3-pyridinyl)-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propanamide
CID 35644462
2-ethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 42280414
N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 36599096
2-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 42280381
6-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide
CID 51333086
2-chloro-4-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 26173890
N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2-(thiophene-2-carbonyl)benzamide
CID 46646361
2,3-dimethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 29293162

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide (CID 26757505) is 2-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide is O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide?
The InChIKey is VGTJAOSNDORSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c18-15-12(4-3-9-19-15)16(21)20-11-5-6-13-14(10-11)23-17(22-13)7-1-2-8-17/h3-6,9-10H,1-2,7-8H2,(H,20,21).
What are the key properties of 2-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide?
2-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide has a molecular weight of 330.77 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide is sourced from PubChem (CID 26757505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).