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

C22H30N4O2 — CID 90013339

IUPACN-[[4-(2,2-dimethylbutanoyl)-4-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCCC(C)(C)C(=O)N1CCCCC12CC2CNC(=O)c1cc2cnccc2[nH]1
InChIInChI=1S/C22H30N4O2/c1-4-21(2,3)20(28)26-10-6-5-8-22(26)12-16(22)14-24-19(27)18-11-15-13-23-9-7-17(15)25-18/h7,9,11,13,16,25H,4-6,8,10,12,14H2,1-3H3,(H,24,27)
InChIKeySRNPABXEBQYUTN-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.50
Rot. Bonds5

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

N-[[4-(2,2-dimethylbutanoyl)-4-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 90013339) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[[4-(2,2-dimethylbutanoyl)-4-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(2,2-dimethylbutanoyl)-4-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID90013339
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[[4-(2,2-dimethylbutanoyl)-4-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCCC(C)(C)C(=O)N1CCCCC12CC2CNC(=O)c1cc2cnccc2[nH]1
InChIInChI=1S/C22H30N4O2/c1-4-21(2,3)20(28)26-10-6-5-8-22(26)12-16(22)14-24-19(27)18-11-15-13-23-9-7-17(15)25-18/h7,9,11,13,16,25H,4-6,8,10,12,14H2,1-3H3,(H,24,27)
InChIKeySRNPABXEBQYUTN-UHFFFAOYSA-N
XLogP3.50
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,2-dimethylbutanoyl)-4-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(2,2-dimethylbutanoyl)-4-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 90013339) is N-[[4-(2,2-dimethylbutanoyl)-4-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(2,2-dimethylbutanoyl)-4-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(2,2-dimethylbutanoyl)-4-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is CCC(C)(C)C(=O)N1CCCCC12CC2CNC(=O)c1cc2cnccc2[nH]1.
What is the InChIKey of N-[[4-(2,2-dimethylbutanoyl)-4-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is SRNPABXEBQYUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-4-21(2,3)20(28)26-10-6-5-8-22(26)12-16(22)14-24-19(27)18-11-15-13-23-9-7-17(15)25-18/h7,9,11,13,16,25H,4-6,8,10,12,14H2,1-3H3,(H,24,27).
What are the key properties of N-[[4-(2,2-dimethylbutanoyl)-4-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[[4-(2,2-dimethylbutanoyl)-4-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2-dimethylbutanoyl)-4-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 90013339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).