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

C16H20BrN3O3 — CID 166261774

IUPAC5-bromo-3-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide
SMILESCc1cc(Br)cnc1C(=O)NCC1CC2(CCNCC2)C(=O)O1
InChIInChI=1S/C16H20BrN3O3/c1-10-6-11(17)8-19-13(10)14(21)20-9-12-7-16(15(22)23-12)2-4-18-5-3-16/h6,8,12,18H,2-5,7,9H2,1H3,(H,20,21)
InChIKeyZPBXRMMZDNYOAY-UHFFFAOYSA-N
MW382.26 g/mol
LogP1.57
Rot. Bonds3

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

5-bromo-3-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide (PubChem CID 166261774) has the molecular formula C16H20BrN3O3 and a molecular weight of 382.26 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide
PubChem CID166261774
Molecular FormulaC16H20BrN3O3
Molecular Weight382.26 g/mol
Exact Mass381.07
IUPAC Name5-bromo-3-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide
SMILESCc1cc(Br)cnc1C(=O)NCC1CC2(CCNCC2)C(=O)O1
InChIInChI=1S/C16H20BrN3O3/c1-10-6-11(17)8-19-13(10)14(21)20-9-12-7-16(15(22)23-12)2-4-18-5-3-16/h6,8,12,18H,2-5,7,9H2,1H3,(H,20,21)
InChIKeyZPBXRMMZDNYOAY-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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-3-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide (CID 166261774) is 5-bromo-3-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-3-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-3-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide is Cc1cc(Br)cnc1C(=O)NCC1CC2(CCNCC2)C(=O)O1.
What is the InChIKey of 5-bromo-3-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide?
The InChIKey is ZPBXRMMZDNYOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O3/c1-10-6-11(17)8-19-13(10)14(21)20-9-12-7-16(15(22)23-12)2-4-18-5-3-16/h6,8,12,18H,2-5,7,9H2,1H3,(H,20,21).
What are the key properties of 5-bromo-3-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide?
5-bromo-3-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 5-bromo-3-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 166261774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).