5-bromo-N-(3-methyloxolan-3-yl)pyridine-3-carboxamide

C11H13BrN2O2 — CID 115769193

IUPAC5-bromo-N-(3-methyloxolan-3-yl)pyridine-3-carboxamide
SMILESCC1(NC(=O)c2cncc(Br)c2)CCOC1
InChIInChI=1S/C11H13BrN2O2/c1-11(2-3-16-7-11)14-10(15)8-4-9(12)6-13-5-8/h4-6H,2-3,7H2,1H3,(H,14,15)
InChIKeyUTTIEBLFWWCSAG-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.75
Rot. Bonds2

About 5-bromo-N-(3-methyloxolan-3-yl)pyridine-3-carboxamide

5-bromo-N-(3-methyloxolan-3-yl)pyridine-3-carboxamide (PubChem CID 115769193) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 5-bromo-N-(3-methyloxolan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-methyloxolan-3-yl)pyridine-3-carboxamide
PubChem CID115769193
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name5-bromo-N-(3-methyloxolan-3-yl)pyridine-3-carboxamide
SMILESCC1(NC(=O)c2cncc(Br)c2)CCOC1
InChIInChI=1S/C11H13BrN2O2/c1-11(2-3-16-7-11)14-10(15)8-4-9(12)6-13-5-8/h4-6H,2-3,7H2,1H3,(H,14,15)
InChIKeyUTTIEBLFWWCSAG-UHFFFAOYSA-N
XLogP1.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dibromo-N-(3-methyloxolan-3-yl)benzamide
CID 103909392
5-bromo-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide
CID 113252985
4-bromo-N-(3-methyloxolan-3-yl)-1H-pyrrole-2-carboxamide
CID 115769201
2,5-dibromo-N-(3-methyloxolan-3-yl)benzamide
CID 114372910
6-amino-5-chloro-N-(3-methyloxolan-3-yl)pyridine-3-carboxamide
CID 113338583
3-amino-5-bromo-N-(3-methyloxan-3-yl)benzamide
CID 114113463
5-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)pyridine-3-carboxamide
CID 122276286
4-bromo-N-(3-methyloxolan-3-yl)-3-(trifluoromethyl)benzamide
CID 115769176
5-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide
CID 55081948
5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide
CID 61381313
4-amino-3,5-dichloro-N-(3-methyloxolan-3-yl)benzamide
CID 113343145
5-bromo-N-(4-fluorooxolan-3-yl)pyridine-3-carboxamide
CID 126856342

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-methyloxolan-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-methyloxolan-3-yl)pyridine-3-carboxamide (CID 115769193) is 5-bromo-N-(3-methyloxolan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-methyloxolan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-methyloxolan-3-yl)pyridine-3-carboxamide is CC1(NC(=O)c2cncc(Br)c2)CCOC1.
What is the InChIKey of 5-bromo-N-(3-methyloxolan-3-yl)pyridine-3-carboxamide?
The InChIKey is UTTIEBLFWWCSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-11(2-3-16-7-11)14-10(15)8-4-9(12)6-13-5-8/h4-6H,2-3,7H2,1H3,(H,14,15).
What are the key properties of 5-bromo-N-(3-methyloxolan-3-yl)pyridine-3-carboxamide?
5-bromo-N-(3-methyloxolan-3-yl)pyridine-3-carboxamide has a molecular weight of 285.14 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methyloxolan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 115769193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).