N-[[6-[2-(4-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

C25H27N5O2 — CID 118621391

IUPACN-[[6-[2-(4-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESN#Cc1ccc(CC(=O)N2CCC3(CC2)CC3CNC(=O)N2Cc3ccncc3C2)cc1
InChIInChI=1S/C25H27N5O2/c26-13-19-3-1-18(2-4-19)11-23(31)29-9-6-25(7-10-29)12-22(25)15-28-24(32)30-16-20-5-8-27-14-21(20)17-30/h1-5,8,14,22H,6-7,9-12,15-17H2,(H,28,32)
InChIKeyWGBVZNLUNGMMRI-UHFFFAOYSA-N
MW429.52 g/mol
LogP2.85
Rot. Bonds4

About N-[[6-[2-(4-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

N-[[6-[2-(4-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 118621391) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[[6-[2-(4-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[2-(4-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID118621391
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC NameN-[[6-[2-(4-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESN#Cc1ccc(CC(=O)N2CCC3(CC2)CC3CNC(=O)N2Cc3ccncc3C2)cc1
InChIInChI=1S/C25H27N5O2/c26-13-19-3-1-18(2-4-19)11-23(31)29-9-6-25(7-10-29)12-22(25)15-28-24(32)30-16-20-5-8-27-14-21(20)17-30/h1-5,8,14,22H,6-7,9-12,15-17H2,(H,28,32)
InChIKeyWGBVZNLUNGMMRI-UHFFFAOYSA-N
XLogP2.85
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(4-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[2-(4-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 118621391) is N-[[6-[2-(4-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-[2-(4-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[2-(4-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is N#Cc1ccc(CC(=O)N2CCC3(CC2)CC3CNC(=O)N2Cc3ccncc3C2)cc1.
What is the InChIKey of N-[[6-[2-(4-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is WGBVZNLUNGMMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c26-13-19-3-1-18(2-4-19)11-23(31)29-9-6-25(7-10-29)12-22(25)15-28-24(32)30-16-20-5-8-27-14-21(20)17-30/h1-5,8,14,22H,6-7,9-12,15-17H2,(H,28,32).
What are the key properties of N-[[6-[2-(4-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-[[6-[2-(4-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-(4-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 118621391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).