5-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)pyridine-3-carboxamide

C14H17BrN2O2 — CID 122276286

IUPAC5-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCC12CCOCC2)c1cncc(Br)c1
InChIInChI=1S/C14H17BrN2O2/c15-11-7-10(8-16-9-11)13(18)17-12-1-2-14(12)3-5-19-6-4-14/h7-9,12H,1-6H2,(H,17,18)
InChIKeyKBRLSUOWMQNOSZ-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.53
Rot. Bonds2

About 5-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)pyridine-3-carboxamide

5-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)pyridine-3-carboxamide (PubChem CID 122276286) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 5-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)pyridine-3-carboxamide
PubChem CID122276286
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name5-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCC12CCOCC2)c1cncc(Br)c1
InChIInChI=1S/C14H17BrN2O2/c15-11-7-10(8-16-9-11)13(18)17-12-1-2-14(12)3-5-19-6-4-14/h7-9,12H,1-6H2,(H,17,18)
InChIKeyKBRLSUOWMQNOSZ-UHFFFAOYSA-N
XLogP2.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
CID 122276126
5-bromo-N-(3-methyloxolan-3-yl)pyridine-3-carboxamide
CID 115769193
5-bromo-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide
CID 113252985
5-bromo-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 62329650
5-bromo-N-(1,4-dioxaspiro[4.5]decan-7-yl)pyridine-3-carboxamide
CID 75453330
5-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)pyrazine-2-carboxamide
CID 122276318
5-bromo-N-(2-methylcyclobutyl)pyridine-3-carboxamide
CID 130552943
5-bromo-N-(4-fluorooxolan-3-yl)pyridine-3-carboxamide
CID 126856342
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-bromopyridine-3-carboxamide
CID 79711416
3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
CID 122276396
4-(3-chlorophenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
CID 122276222
5-bromo-N-[(3R)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95984966

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)pyridine-3-carboxamide (CID 122276286) is 5-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)pyridine-3-carboxamide is O=C(NC1CCC12CCOCC2)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)pyridine-3-carboxamide?
The InChIKey is KBRLSUOWMQNOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c15-11-7-10(8-16-9-11)13(18)17-12-1-2-14(12)3-5-19-6-4-14/h7-9,12H,1-6H2,(H,17,18).
What are the key properties of 5-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)pyridine-3-carboxamide?
5-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)pyridine-3-carboxamide has a molecular weight of 325.21 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 122276286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).