5-bromo-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide

C13H17BrN2O2 — CID 113252985

IUPAC5-bromo-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide
SMILESCC1(CNC(=O)c2cncc(Br)c2)CCOCC1
InChIInChI=1S/C13H17BrN2O2/c1-13(2-4-18-5-3-13)9-16-12(17)10-6-11(14)8-15-7-10/h6-8H,2-5,9H2,1H3,(H,16,17)
InChIKeyRDYXBQGAKNANII-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.39
Rot. Bonds3

About 5-bromo-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide

5-bromo-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 113252985) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 5-bromo-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide
PubChem CID113252985
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name5-bromo-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide
SMILESCC1(CNC(=O)c2cncc(Br)c2)CCOCC1
InChIInChI=1S/C13H17BrN2O2/c1-13(2-4-18-5-3-13)9-16-12(17)10-6-11(14)8-15-7-10/h6-8H,2-5,9H2,1H3,(H,16,17)
InChIKeyRDYXBQGAKNANII-UHFFFAOYSA-N
XLogP2.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-methyloxolan-3-yl)pyridine-3-carboxamide
CID 115769193
5-bromo-N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 113400479
4-bromo-3-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide
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CID 103991115
5-bromo-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
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CID 6945505
2-[1-[[(5-bromopyridine-3-carbonyl)amino]methyl]cyclobutyl]acetic acid
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3-bromo-4-methoxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103742483
5-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)pyridine-3-carboxamide
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5-bromo-N-(2-methylprop-2-enyl)pyridine-3-carboxamide
CID 114617380
5-bromo-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide
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1-(5-bromo-3-pyridinyl)-2-(1-methylcyclobutyl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide (CID 113252985) is 5-bromo-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide is CC1(CNC(=O)c2cncc(Br)c2)CCOCC1.
What is the InChIKey of 5-bromo-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is RDYXBQGAKNANII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-13(2-4-18-5-3-13)9-16-12(17)10-6-11(14)8-15-7-10/h6-8H,2-5,9H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide?
5-bromo-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 313.19 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 113252985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).