5-bromo-4-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide

C15H17BrClN3O3 — CID 167840056

IUPAC5-bromo-4-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NCC1CC2(CCNCC2)C(=O)O1)c1cc(Cl)c(Br)cn1
InChIInChI=1S/C15H17BrClN3O3/c16-10-8-19-12(5-11(10)17)13(21)20-7-9-6-15(14(22)23-9)1-3-18-4-2-15/h5,8-9,18H,1-4,6-7H2,(H,20,21)
InChIKeyNIZZTOQWVUPUCU-UHFFFAOYSA-N
MW402.68 g/mol
LogP1.91
Rot. Bonds3

About 5-bromo-4-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide

5-bromo-4-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide (PubChem CID 167840056) has the molecular formula C15H17BrClN3O3 and a molecular weight of 402.68 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide
PubChem CID167840056
Molecular FormulaC15H17BrClN3O3
Molecular Weight402.68 g/mol
Exact Mass401.01
IUPAC Name5-bromo-4-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NCC1CC2(CCNCC2)C(=O)O1)c1cc(Cl)c(Br)cn1
InChIInChI=1S/C15H17BrClN3O3/c16-10-8-19-12(5-11(10)17)13(21)20-7-9-6-15(14(22)23-9)1-3-18-4-2-15/h5,8-9,18H,1-4,6-7H2,(H,20,21)
InChIKeyNIZZTOQWVUPUCU-UHFFFAOYSA-N
XLogP1.91
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.68
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-4-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide (CID 167840056) is 5-bromo-4-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-4-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-4-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide is O=C(NCC1CC2(CCNCC2)C(=O)O1)c1cc(Cl)c(Br)cn1.
What is the InChIKey of 5-bromo-4-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide?
The InChIKey is NIZZTOQWVUPUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3O3/c16-10-8-19-12(5-11(10)17)13(21)20-7-9-6-15(14(22)23-9)1-3-18-4-2-15/h5,8-9,18H,1-4,6-7H2,(H,20,21).
What are the key properties of 5-bromo-4-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide?
5-bromo-4-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide has a molecular weight of 402.68 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 167840056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).