5-bromo-N-(oxan-4-ylmethyl)pyridine-3-carboxamide

C12H15BrN2O2 — CID 62329650

IUPAC5-bromo-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1cncc(Br)c1
InChIInChI=1S/C12H15BrN2O2/c13-11-5-10(7-14-8-11)12(16)15-6-9-1-3-17-4-2-9/h5,7-9H,1-4,6H2,(H,15,16)
InChIKeyVUONZPJWNRLOGQ-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.00
Rot. Bonds3

About 5-bromo-N-(oxan-4-ylmethyl)pyridine-3-carboxamide

5-bromo-N-(oxan-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 62329650) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 5-bromo-N-(oxan-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
PubChem CID62329650
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name5-bromo-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1cncc(Br)c1
InChIInChI=1S/C12H15BrN2O2/c13-11-5-10(7-14-8-11)12(16)15-6-9-1-3-17-4-2-9/h5,7-9H,1-4,6H2,(H,15,16)
InChIKeyVUONZPJWNRLOGQ-UHFFFAOYSA-N
XLogP2.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-3-carboxamide
CID 114148085
5-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
CID 80564437
3-[5-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 76951246
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 61242484
5-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide
CID 49094737
5-bromo-N-(2-morpholin-4-ium-4-ylethyl)pyridine-3-carboxamide
CID 6945505
5-bromo-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide
CID 113252985
3,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736364
3-bromo-4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 79462678
4-bromo-3-chloro-N-(oxan-4-ylmethyl)benzamide
CID 80998003
5-bromo-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide
CID 115578537
3,4,5-trifluoro-N-(oxan-4-ylmethyl)benzamide
CID 63235633

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(oxan-4-ylmethyl)pyridine-3-carboxamide (CID 62329650) is 5-bromo-N-(oxan-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(oxan-4-ylmethyl)pyridine-3-carboxamide is O=C(NCC1CCOCC1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is VUONZPJWNRLOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-11-5-10(7-14-8-11)12(16)15-6-9-1-3-17-4-2-9/h5,7-9H,1-4,6H2,(H,15,16).
What are the key properties of 5-bromo-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
5-bromo-N-(oxan-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 299.17 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(oxan-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 62329650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).