5-bromo-N-(1,4-dioxaspiro[4.5]decan-7-yl)pyridine-3-carboxamide

C14H17BrN2O3 — CID 75453330

IUPAC5-bromo-N-(1,4-dioxaspiro[4.5]decan-7-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCCC2(C1)OCCO2)c1cncc(Br)c1
InChIInChI=1S/C14H17BrN2O3/c15-11-6-10(8-16-9-11)13(18)17-12-2-1-3-14(7-12)19-4-5-20-14/h6,8-9,12H,1-5,7H2,(H,17,18)
InChIKeyYKYUORGJRWXXGX-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.26
Rot. Bonds2

About 5-bromo-N-(1,4-dioxaspiro[4.5]decan-7-yl)pyridine-3-carboxamide

5-bromo-N-(1,4-dioxaspiro[4.5]decan-7-yl)pyridine-3-carboxamide (PubChem CID 75453330) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 5-bromo-N-(1,4-dioxaspiro[4.5]decan-7-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1,4-dioxaspiro[4.5]decan-7-yl)pyridine-3-carboxamide
PubChem CID75453330
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name5-bromo-N-(1,4-dioxaspiro[4.5]decan-7-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCCC2(C1)OCCO2)c1cncc(Br)c1
InChIInChI=1S/C14H17BrN2O3/c15-11-6-10(8-16-9-11)13(18)17-12-2-1-3-14(7-12)19-4-5-20-14/h6,8-9,12H,1-5,7H2,(H,17,18)
InChIKeyYKYUORGJRWXXGX-UHFFFAOYSA-N
XLogP2.26
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-3-carboxamide
CID 43595738
5-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)pyridine-3-carboxamide
CID 122276286
2,5-dichloro-N-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]benzamide
CID 124885820
5-bromo-N-(2-chlorocyclohexyl)pyridine-3-carboxamide
CID 114301232
N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
CID 104626056
5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide
CID 2823446
3-N-cyclopentyl-5-N-cyclopropylpyridine-3,5-dicarboxamide
CID 109101527
5-bromo-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95985160
5-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide
CID 1122328
5-bromo-N-[(3R)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95984966
5-bromo-N-(3-methylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 103708503
5-bromo-N-(2-methylcyclobutyl)pyridine-3-carboxamide
CID 130552943

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,4-dioxaspiro[4.5]decan-7-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(1,4-dioxaspiro[4.5]decan-7-yl)pyridine-3-carboxamide (CID 75453330) is 5-bromo-N-(1,4-dioxaspiro[4.5]decan-7-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1,4-dioxaspiro[4.5]decan-7-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1,4-dioxaspiro[4.5]decan-7-yl)pyridine-3-carboxamide is O=C(NC1CCCC2(C1)OCCO2)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(1,4-dioxaspiro[4.5]decan-7-yl)pyridine-3-carboxamide?
The InChIKey is YKYUORGJRWXXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c15-11-6-10(8-16-9-11)13(18)17-12-2-1-3-14(7-12)19-4-5-20-14/h6,8-9,12H,1-5,7H2,(H,17,18).
What are the key properties of 5-bromo-N-(1,4-dioxaspiro[4.5]decan-7-yl)pyridine-3-carboxamide?
5-bromo-N-(1,4-dioxaspiro[4.5]decan-7-yl)pyridine-3-carboxamide has a molecular weight of 341.21 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,4-dioxaspiro[4.5]decan-7-yl)pyridine-3-carboxamide is sourced from PubChem (CID 75453330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).