N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

C24H28N4O2 — CID 90012785

IUPACN-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)Cc1ccccc1)CC2)N1C=C2C=CNC=C2C1
InChIInChI=1S/C24H28N4O2/c29-22(12-18-4-2-1-3-5-18)27-10-7-24(8-11-27)13-21(24)15-26-23(30)28-16-19-6-9-25-14-20(19)17-28/h1-6,9,14,16,21,25H,7-8,10-13,15,17H2,(H,26,30)
InChIKeyNKJLOQKKGCGFAG-UHFFFAOYSA-N
MW404.51 g/mol
LogP2.77
Rot. Bonds4

About N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 90012785) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID90012785
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)Cc1ccccc1)CC2)N1C=C2C=CNC=C2C1
InChIInChI=1S/C24H28N4O2/c29-22(12-18-4-2-1-3-5-18)27-10-7-24(8-11-27)13-21(24)15-26-23(30)28-16-19-6-9-25-14-20(19)17-28/h1-6,9,14,16,21,25H,7-8,10-13,15,17H2,(H,26,30)
InChIKeyNKJLOQKKGCGFAG-UHFFFAOYSA-N
XLogP2.77
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 90012785) is N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is O=C(NCC1CC12CCN(C(=O)Cc1ccccc1)CC2)N1C=C2C=CNC=C2C1.
What is the InChIKey of N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is NKJLOQKKGCGFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c29-22(12-18-4-2-1-3-5-18)27-10-7-24(8-11-27)13-21(24)15-26-23(30)28-16-19-6-9-25-14-20(19)17-28/h1-6,9,14,16,21,25H,7-8,10-13,15,17H2,(H,26,30).
What are the key properties of N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 90012785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).