N-(1-pyridin-3-ylspiro[2H-indole-3,4'-oxane]-5-yl)cyclopent-3-ene-1-carboxamide

C23H25N3O2 — CID 134079469

IUPACN-(1-pyridin-3-ylspiro[2H-indole-3,4'-oxane]-5-yl)cyclopent-3-ene-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)C1(CCOCC1)CN2c1cccnc1)C1CC=CC1
InChIInChI=1S/C23H25N3O2/c27-22(17-4-1-2-5-17)25-18-7-8-21-20(14-18)23(9-12-28-13-10-23)16-26(21)19-6-3-11-24-15-19/h1-3,6-8,11,14-15,17H,4-5,9-10,12-13,16H2,(H,25,27)
InChIKeyDRLQIVHBWZBPFA-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.19
Rot. Bonds3

About N-(1-pyridin-3-ylspiro[2H-indole-3,4'-oxane]-5-yl)cyclopent-3-ene-1-carboxamide

N-(1-pyridin-3-ylspiro[2H-indole-3,4'-oxane]-5-yl)cyclopent-3-ene-1-carboxamide (PubChem CID 134079469) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(1-pyridin-3-ylspiro[2H-indole-3,4'-oxane]-5-yl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(1-pyridin-3-ylspiro[2H-indole-3,4'-oxane]-5-yl)cyclopent-3-ene-1-carboxamide
PubChem CID134079469
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-(1-pyridin-3-ylspiro[2H-indole-3,4'-oxane]-5-yl)cyclopent-3-ene-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)C1(CCOCC1)CN2c1cccnc1)C1CC=CC1
InChIInChI=1S/C23H25N3O2/c27-22(17-4-1-2-5-17)25-18-7-8-21-20(14-18)23(9-12-28-13-10-23)16-26(21)19-6-3-11-24-15-19/h1-3,6-8,11,14-15,17H,4-5,9-10,12-13,16H2,(H,25,27)
InChIKeyDRLQIVHBWZBPFA-UHFFFAOYSA-N
XLogP4.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-3-carboxamide
CID 97409703
(5R)-7-(cyclopent-3-ene-1-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451472
2-(cyclopropanecarbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;formic acid
CID 155873009
N-(1H-indazol-6-yl)-5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxamide
CID 110684595
[(2R)-oxolan-2-yl]-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone;2,2,2-trifluoroacetic acid
CID 155843652
[(1R)-cyclohex-3-en-1-yl]-spiro[2H-indole-3,4'-oxane]-1-ylmethanone
CID 99829191
(5-methylpyrazolidin-3-yl)-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
CID 134077665
N-(4-morpholin-4-ylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30885894
N-(1-ethylsulfonylspiro[2H-indole-3,4'-oxane]-5-yl)-2-methoxyacetamide
CID 97401229
N-[1-(oxolan-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]acetamide
CID 134074323
N-[3-(azepan-1-yl)-4-(4-pyridin-3-ylpiperazine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 157036100
(4S)-N-phenyl-2-(pyridin-3-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 97375429

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-3-ylspiro[2H-indole-3,4'-oxane]-5-yl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(1-pyridin-3-ylspiro[2H-indole-3,4'-oxane]-5-yl)cyclopent-3-ene-1-carboxamide (CID 134079469) is N-(1-pyridin-3-ylspiro[2H-indole-3,4'-oxane]-5-yl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(1-pyridin-3-ylspiro[2H-indole-3,4'-oxane]-5-yl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(1-pyridin-3-ylspiro[2H-indole-3,4'-oxane]-5-yl)cyclopent-3-ene-1-carboxamide is O=C(Nc1ccc2c(c1)C1(CCOCC1)CN2c1cccnc1)C1CC=CC1.
What is the InChIKey of N-(1-pyridin-3-ylspiro[2H-indole-3,4'-oxane]-5-yl)cyclopent-3-ene-1-carboxamide?
The InChIKey is DRLQIVHBWZBPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-22(17-4-1-2-5-17)25-18-7-8-21-20(14-18)23(9-12-28-13-10-23)16-26(21)19-6-3-11-24-15-19/h1-3,6-8,11,14-15,17H,4-5,9-10,12-13,16H2,(H,25,27).
What are the key properties of N-(1-pyridin-3-ylspiro[2H-indole-3,4'-oxane]-5-yl)cyclopent-3-ene-1-carboxamide?
N-(1-pyridin-3-ylspiro[2H-indole-3,4'-oxane]-5-yl)cyclopent-3-ene-1-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-3-ylspiro[2H-indole-3,4'-oxane]-5-yl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 134079469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).