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

C16H20BrN3O3 — CID 166415854

IUPAC6-bromo-4-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide
SMILESCc1cc(Br)nc(C(=O)NCC2CC3(CCNCC3)C(=O)O2)c1
InChIInChI=1S/C16H20BrN3O3/c1-10-6-12(20-13(17)7-10)14(21)19-9-11-8-16(15(22)23-11)2-4-18-5-3-16/h6-7,11,18H,2-5,8-9H2,1H3,(H,19,21)
InChIKeyPQOYZMOUGLVCOT-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-2-carboxamide

6-bromo-4-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide (PubChem CID 166415854) 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-2-carboxamide.

Molecular Properties

Compound Name6-bromo-4-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide
PubChem CID166415854
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-2-carboxamide
SMILESCc1cc(Br)nc(C(=O)NCC2CC3(CCNCC3)C(=O)O2)c1
InChIInChI=1S/C16H20BrN3O3/c1-10-6-12(20-13(17)7-10)14(21)19-9-11-8-16(15(22)23-11)2-4-18-5-3-16/h6-7,11,18H,2-5,8-9H2,1H3,(H,19,21)
InChIKeyPQOYZMOUGLVCOT-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

6-bromo-4-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide
CID 166409383
5-bromo-3-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide
CID 166261774
5-bromo-4-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide
CID 167840056
5-bromo-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-2,1-benzothiazole-3-carboxamide
CID 166358868
2-oxo-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-pyrazine-3-carboxamide
CID 166358858
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-(methylamino)-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide
CID 167808743
6-bromo-4-oxo-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-quinoline-3-carboxamide
CID 166358857
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
5-iodo-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-indazole-3-carboxamide
CID 166358741
5-bromo-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1-benzothiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 166381763
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

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-2-carboxamide?
The IUPAC name of 6-bromo-4-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide (CID 166415854) is 6-bromo-4-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-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-2-carboxamide?
The canonical SMILES for 6-bromo-4-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide is Cc1cc(Br)nc(C(=O)NCC2CC3(CCNCC3)C(=O)O2)c1.
What is the InChIKey of 6-bromo-4-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide?
The InChIKey is PQOYZMOUGLVCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O3/c1-10-6-12(20-13(17)7-10)14(21)19-9-11-8-16(15(22)23-11)2-4-18-5-3-16/h6-7,11,18H,2-5,8-9H2,1H3,(H,19,21).
What are the key properties of 6-bromo-4-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide?
6-bromo-4-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-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-2-carboxamide is sourced from PubChem (CID 166415854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).