2-pyridin-4-yl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyrrolidine-1-carboxamide

C22H25N3O3 — CID 86988125

IUPAC2-pyridin-4-yl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CCCC1c1ccncc1
InChIInChI=1S/C22H25N3O3/c26-21(25-14-4-5-18(25)16-8-12-23-13-9-16)24-17-6-7-19-20(15-17)28-22(27-19)10-2-1-3-11-22/h6-9,12-13,15,18H,1-5,10-11,14H2,(H,24,26)
InChIKeyBEIRCLXCJDZMOC-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.88
Rot. Bonds2

About 2-pyridin-4-yl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyrrolidine-1-carboxamide

2-pyridin-4-yl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyrrolidine-1-carboxamide (PubChem CID 86988125) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-pyridin-4-yl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-pyridin-4-yl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyrrolidine-1-carboxamide
PubChem CID86988125
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-pyridin-4-yl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CCCC1c1ccncc1
InChIInChI=1S/C22H25N3O3/c26-21(25-14-4-5-18(25)16-8-12-23-13-9-16)24-17-6-7-19-20(15-17)28-22(27-19)10-2-1-3-11-22/h6-9,12-13,15,18H,1-5,10-11,14H2,(H,24,26)
InChIKeyBEIRCLXCJDZMOC-UHFFFAOYSA-N
XLogP4.88
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyrrolidine-1-carboxamide
CID 97074871
4-pyridin-4-yl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperazine-1-carboxamide
CID 86988126
(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 94796932
N-[4-(difluoromethylsulfanyl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 71941798
(2S)-1-(2-methylpropanoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-2-carboxamide
CID 94589763
N-[3-(1,3-dithian-2-yl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 71895904
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856304
(2R)-N-(3-morpholin-4-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94655019
(2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 124619097
N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9171301
(2R)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94661720

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyrrolidine-1-carboxamide?
The IUPAC name of 2-pyridin-4-yl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyrrolidine-1-carboxamide (CID 86988125) is 2-pyridin-4-yl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-pyridin-4-yl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-pyridin-4-yl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyrrolidine-1-carboxamide is O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CCCC1c1ccncc1.
What is the InChIKey of 2-pyridin-4-yl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyrrolidine-1-carboxamide?
The InChIKey is BEIRCLXCJDZMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-21(25-14-4-5-18(25)16-8-12-23-13-9-16)24-17-6-7-19-20(15-17)28-22(27-19)10-2-1-3-11-22/h6-9,12-13,15,18H,1-5,10-11,14H2,(H,24,26).
What are the key properties of 2-pyridin-4-yl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyrrolidine-1-carboxamide?
2-pyridin-4-yl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyrrolidine-1-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 86988125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).