N-benzyl-2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide

C23H19N3O2 — CID 59407119

IUPACN-benzyl-2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide
SMILESO=C(NCc1ccccc1)c1cc2c(cn1)CC1(C2)C(=O)Nc2ccccc21
InChIInChI=1S/C23H19N3O2/c27-21(25-13-15-6-2-1-3-7-15)20-10-16-11-23(12-17(16)14-24-20)18-8-4-5-9-19(18)26-22(23)28/h1-10,14H,11-13H2,(H,25,27)(H,26,28)
InChIKeyVRXDVKYMCONUKK-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.00
Rot. Bonds3

About N-benzyl-2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide

N-benzyl-2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide (PubChem CID 59407119) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-benzyl-2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide
PubChem CID59407119
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC NameN-benzyl-2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide
SMILESO=C(NCc1ccccc1)c1cc2c(cn1)CC1(C2)C(=O)Nc2ccccc21
InChIInChI=1S/C23H19N3O2/c27-21(25-13-15-6-2-1-3-7-15)20-10-16-11-23(12-17(16)14-24-20)18-8-4-5-9-19(18)26-22(23)28/h1-10,14H,11-13H2,(H,25,27)(H,26,28)
InChIKeyVRXDVKYMCONUKK-UHFFFAOYSA-N
XLogP3.00
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[3-[[(2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carbonyl)amino]methyl]phenyl]methyl]carbamate
CID 59407105
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide
CID 71047064
N-benzyl-6,7-dihydroxyisoquinoline-3-carboxamide
CID 135408977
N-benzyl-5-(benzylamino)pyrazine-2-carboxamide
CID 109279637
5-amino-4-[(1Z)-buta-1,3-dienyl]-2-oxo-N-[(5-phenylpyrrolidin-3-yl)methyl]spiro[1H-pyrrole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide
CID 89221672
2'-oxo-N-[(4-sulfamoylphenyl)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide
CID 11583198
6-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 91329449
N-benzyl-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 138993218
N-benzyl-2H-triazole-4-carboxamide
CID 47334751
5-(aminomethyl)-N-benzylpyridine-2-carboxamide
CID 55230776
5-anilino-N-benzylpyridine-2-carboxamide
CID 109187879
trans-(1R,2R)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)-2-phenylcyclopropane-1-carboxamide
CID 25206027

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide?
The IUPAC name of N-benzyl-2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide (CID 59407119) is N-benzyl-2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide.
What is the SMILES notation for N-benzyl-2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide?
The canonical SMILES for N-benzyl-2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide is O=C(NCc1ccccc1)c1cc2c(cn1)CC1(C2)C(=O)Nc2ccccc21.
What is the InChIKey of N-benzyl-2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide?
The InChIKey is VRXDVKYMCONUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-21(25-13-15-6-2-1-3-7-15)20-10-16-11-23(12-17(16)14-24-20)18-8-4-5-9-19(18)26-22(23)28/h1-10,14H,11-13H2,(H,25,27)(H,26,28).
What are the key properties of N-benzyl-2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide?
N-benzyl-2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide is sourced from PubChem (CID 59407119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).