N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-3-carboxamide

C16H22BrN3O — CID 43595738

IUPACN-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-3-carboxamide
SMILESO=C(NC1CCNC2(CCCCC2)C1)c1cncc(Br)c1
InChIInChI=1S/C16H22BrN3O/c17-13-8-12(10-18-11-13)15(21)20-14-4-7-19-16(9-14)5-2-1-3-6-16/h8,10-11,14,19H,1-7,9H2,(H,20,21)
InChIKeyCWKCNMAQLDXDGB-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.03
Rot. Bonds2

About N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-3-carboxamide

N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-3-carboxamide (PubChem CID 43595738) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-3-carboxamide
PubChem CID43595738
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC NameN-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-3-carboxamide
SMILESO=C(NC1CCNC2(CCCCC2)C1)c1cncc(Br)c1
InChIInChI=1S/C16H22BrN3O/c17-13-8-12(10-18-11-13)15(21)20-14-4-7-19-16(9-14)5-2-1-3-6-16/h8,10-11,14,19H,1-7,9H2,(H,20,21)
InChIKeyCWKCNMAQLDXDGB-UHFFFAOYSA-N
XLogP3.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-2-carboxamide
CID 62959195
5-bromo-N-(1,4-dioxaspiro[4.5]decan-7-yl)pyridine-3-carboxamide
CID 75453330
N-(1-azaspiro[5.5]undecan-4-yl)-4-methylbenzamide
CID 43595670
N-(5-azaspiro[3.5]nonan-8-yl)-3,5-difluorobenzamide
CID 43595353
N-(1-azaspiro[5.5]undecan-4-yl)-1,2,5-thiadiazole-3-carboxamide
CID 43595660
N-(5-azaspiro[3.5]nonan-8-yl)-4-hydroxybenzamide
CID 43595256
N-(5-azaspiro[3.5]nonan-8-yl)-4-methylbenzamide
CID 43595183
N-(1-azaspiro[5.5]undecan-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 55245594
5-bromo-N-[(3R)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95984966
5-bromo-N-(3-methylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 103708503
5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide
CID 2823446
5-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide
CID 1122328

Frequently Asked Questions

What is the IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-3-carboxamide?
The IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-3-carboxamide (CID 43595738) is N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-3-carboxamide.
What is the SMILES notation for N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-3-carboxamide?
The canonical SMILES for N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-3-carboxamide is O=C(NC1CCNC2(CCCCC2)C1)c1cncc(Br)c1.
What is the InChIKey of N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-3-carboxamide?
The InChIKey is CWKCNMAQLDXDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c17-13-8-12(10-18-11-13)15(21)20-14-4-7-19-16(9-14)5-2-1-3-6-16/h8,10-11,14,19H,1-7,9H2,(H,20,21).
What are the key properties of N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-3-carboxamide?
N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-3-carboxamide has a molecular weight of 352.28 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-3-carboxamide is sourced from PubChem (CID 43595738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).