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

C24H33N5O2 — CID 155027416

IUPACN-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCN1CCC(CC(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3cnccc3[nH]2)CC1
InChIInChI=1S/C24H33N5O2/c1-28-8-3-17(4-9-28)12-22(30)29-10-5-24(6-11-29)14-19(24)16-26-23(31)21-13-18-15-25-7-2-20(18)27-21/h2,7,13,15,17,19,27H,3-6,8-12,14,16H2,1H3,(H,26,31)
InChIKeyAFJIYJDYSGLOHC-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.65
Rot. Bonds5

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

N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 155027416) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID155027416
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC NameN-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCN1CCC(CC(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3cnccc3[nH]2)CC1
InChIInChI=1S/C24H33N5O2/c1-28-8-3-17(4-9-28)12-22(30)29-10-5-24(6-11-29)14-19(24)16-26-23(31)21-13-18-15-25-7-2-20(18)27-21/h2,7,13,15,17,19,27H,3-6,8-12,14,16H2,1H3,(H,26,31)
InChIKeyAFJIYJDYSGLOHC-UHFFFAOYSA-N
XLogP2.65
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethylpropyl 2-[(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 130290365
N-[[6-[2-(4-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 90012764
N-[[6-[4-[(dimethylamino)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 90011963
N-[[6-[2-(3-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 90012547
N-[[6-[2-(oxan-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71715467
N-[[1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 167876966
N-[[4-(2,2-dimethylbutanoyl)-4-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 90013339
4-[4-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)butyl]piperidine-1-carboxylic acid
CID 90374114
N-[[6-(3-methylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 118621393
N-[[6-(2,2-dimethylcyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 118621385
1,1,3,3-tetradeuterio-N-[[6-(3-methylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyrrolo[3,4-c]pyridine-2-carboxamide
CID 118621406
N-[[6-(2-pyrrolidin-1-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71715412

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 155027416) is N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is CN1CCC(CC(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3cnccc3[nH]2)CC1.
What is the InChIKey of N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is AFJIYJDYSGLOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-28-8-3-17(4-9-28)12-22(30)29-10-5-24(6-11-29)14-19(24)16-26-23(31)21-13-18-15-25-7-2-20(18)27-21/h2,7,13,15,17,19,27H,3-6,8-12,14,16H2,1H3,(H,26,31).
What are the key properties of N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 155027416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).