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

C16H20BrN3O3 — CID 166409383

IUPAC6-bromo-4-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide
SMILESCc1cc(Br)ncc1C(=O)NCC1CC2(CCNCC2)C(=O)O1
InChIInChI=1S/C16H20BrN3O3/c1-10-6-13(17)19-9-12(10)14(21)20-8-11-7-16(15(22)23-11)2-4-18-5-3-16/h6,9,11,18H,2-5,7-8H2,1H3,(H,20,21)
InChIKeyGKINDJSBPQOWHU-UHFFFAOYSA-N
MW382.26 g/mol
LogP1.57
Rot. Bonds3

About 6-bromo-4-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide

6-bromo-4-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 166409383) has the molecular formula C16H20BrN3O3 and a molecular weight of 382.26 g/mol. Its IUPAC name is 6-bromo-4-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-4-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide
PubChem CID166409383
Molecular FormulaC16H20BrN3O3
Molecular Weight382.26 g/mol
Exact Mass381.07
IUPAC Name6-bromo-4-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide
SMILESCc1cc(Br)ncc1C(=O)NCC1CC2(CCNCC2)C(=O)O1
InChIInChI=1S/C16H20BrN3O3/c1-10-6-13(17)19-9-12(10)14(21)20-8-11-7-16(15(22)23-11)2-4-18-5-3-16/h6,9,11,18H,2-5,7-8H2,1H3,(H,20,21)
InChIKeyGKINDJSBPQOWHU-UHFFFAOYSA-N
XLogP1.57
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide
CID 166261774
6-bromo-4-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide
CID 166415854
6-(methylamino)-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide
CID 167808743
5-bromo-4-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide
CID 167840056
2-oxo-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-pyrazine-3-carboxamide
CID 166358858
6-(methylamino)-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 167808742
6-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166429571
4-bromo-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 166358651
6-bromo-4-oxo-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-quinoline-3-carboxamide
CID 166358857
4-bromo-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-2-propan-2-yloxybenzamide;2,2,2-trifluoroacetic acid
CID 166381767
5-bromo-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-2,1-benzothiazole-3-carboxamide
CID 166358868
7-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]quinoline-4-carboxamide;2,2,2-trifluoroacetic acid
CID 166261782

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-4-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide (CID 166409383) is 6-bromo-4-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-4-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-4-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide is Cc1cc(Br)ncc1C(=O)NCC1CC2(CCNCC2)C(=O)O1.
What is the InChIKey of 6-bromo-4-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is GKINDJSBPQOWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O3/c1-10-6-13(17)19-9-12(10)14(21)20-8-11-7-16(15(22)23-11)2-4-18-5-3-16/h6,9,11,18H,2-5,7-8H2,1H3,(H,20,21).
What are the key properties of 6-bromo-4-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide?
6-bromo-4-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 382.26 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 166409383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).