N-(5-oxaspiro[3.5]nonan-8-ylmethyl)-3-pyridin-2-yloxypyrrolidine-1-carboxamide

C19H27N3O3 — CID 128624558

IUPACN-(5-oxaspiro[3.5]nonan-8-ylmethyl)-3-pyridin-2-yloxypyrrolidine-1-carboxamide
SMILESO=C(NCC1CCOC2(CCC2)C1)N1CCC(Oc2ccccn2)C1
InChIInChI=1S/C19H27N3O3/c23-18(21-13-15-6-11-24-19(12-15)7-3-8-19)22-10-5-16(14-22)25-17-4-1-2-9-20-17/h1-2,4,9,15-16H,3,5-8,10-14H2,(H,21,23)
InChIKeyQUDBQTOLEBROSC-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.59
Rot. Bonds4

About N-(5-oxaspiro[3.5]nonan-8-ylmethyl)-3-pyridin-2-yloxypyrrolidine-1-carboxamide

N-(5-oxaspiro[3.5]nonan-8-ylmethyl)-3-pyridin-2-yloxypyrrolidine-1-carboxamide (PubChem CID 128624558) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(5-oxaspiro[3.5]nonan-8-ylmethyl)-3-pyridin-2-yloxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-oxaspiro[3.5]nonan-8-ylmethyl)-3-pyridin-2-yloxypyrrolidine-1-carboxamide
PubChem CID128624558
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-(5-oxaspiro[3.5]nonan-8-ylmethyl)-3-pyridin-2-yloxypyrrolidine-1-carboxamide
SMILESO=C(NCC1CCOC2(CCC2)C1)N1CCC(Oc2ccccn2)C1
InChIInChI=1S/C19H27N3O3/c23-18(21-13-15-6-11-24-19(12-15)7-3-8-19)22-10-5-16(14-22)25-17-4-1-2-9-20-17/h1-2,4,9,15-16H,3,5-8,10-14H2,(H,21,23)
InChIKeyQUDBQTOLEBROSC-UHFFFAOYSA-N
XLogP2.59
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798593
2-cyclopropyl-1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone;2,2,2-trifluoroacetic acid
CID 155869247
(3R)-N-(4-fluorophenyl)-3-pyridin-2-yloxypyrrolidine-1-carboxamide
CID 129416268
(3R)-N-(2-chlorophenyl)-3-pyridin-2-yloxypyrrolidine-1-carboxamide
CID 129417495
1,3-oxazol-4-yl-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97484872
3,3,3-trifluoro-1-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]propan-1-one
CID 129417057
formic acid;1-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 155858200
cyclopropyl-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;formic acid
CID 155872470
2-(2-fluorophenyl)-1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone
CID 131648181
2-(2-methylphenyl)-1-[(8R)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124821943
pyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419587
3-cyclopentyl-1-(3-pyridin-2-yloxyazetidin-1-yl)propan-1-one
CID 122247079

Frequently Asked Questions

What is the IUPAC name of N-(5-oxaspiro[3.5]nonan-8-ylmethyl)-3-pyridin-2-yloxypyrrolidine-1-carboxamide?
The IUPAC name of N-(5-oxaspiro[3.5]nonan-8-ylmethyl)-3-pyridin-2-yloxypyrrolidine-1-carboxamide (CID 128624558) is N-(5-oxaspiro[3.5]nonan-8-ylmethyl)-3-pyridin-2-yloxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-(5-oxaspiro[3.5]nonan-8-ylmethyl)-3-pyridin-2-yloxypyrrolidine-1-carboxamide?
The canonical SMILES for N-(5-oxaspiro[3.5]nonan-8-ylmethyl)-3-pyridin-2-yloxypyrrolidine-1-carboxamide is O=C(NCC1CCOC2(CCC2)C1)N1CCC(Oc2ccccn2)C1.
What is the InChIKey of N-(5-oxaspiro[3.5]nonan-8-ylmethyl)-3-pyridin-2-yloxypyrrolidine-1-carboxamide?
The InChIKey is QUDBQTOLEBROSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-18(21-13-15-6-11-24-19(12-15)7-3-8-19)22-10-5-16(14-22)25-17-4-1-2-9-20-17/h1-2,4,9,15-16H,3,5-8,10-14H2,(H,21,23).
What are the key properties of N-(5-oxaspiro[3.5]nonan-8-ylmethyl)-3-pyridin-2-yloxypyrrolidine-1-carboxamide?
N-(5-oxaspiro[3.5]nonan-8-ylmethyl)-3-pyridin-2-yloxypyrrolidine-1-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxaspiro[3.5]nonan-8-ylmethyl)-3-pyridin-2-yloxypyrrolidine-1-carboxamide is sourced from PubChem (CID 128624558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).