5-bromo-2-(dimethylamino)-N-[[(2R)-oxan-2-yl]methyl]pyridine-3-carboxamide

C14H20BrN3O2 — CID 96539085

IUPAC5-bromo-2-(dimethylamino)-N-[[(2R)-oxan-2-yl]methyl]pyridine-3-carboxamide
SMILESCN(C)c1ncc(Br)cc1C(=O)NC[C@H]1CCCCO1
InChIInChI=1S/C14H20BrN3O2/c1-18(2)13-12(7-10(15)8-16-13)14(19)17-9-11-5-3-4-6-20-11/h7-8,11H,3-6,9H2,1-2H3,(H,17,19)/t11-/m1/s1
InChIKeyAFDKLWIWNKQFGL-LLVKDONJSA-N
MW342.24 g/mol
LogP2.21
Rot. Bonds4

About 5-bromo-2-(dimethylamino)-N-[[(2R)-oxan-2-yl]methyl]pyridine-3-carboxamide

5-bromo-2-(dimethylamino)-N-[[(2R)-oxan-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 96539085) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 5-bromo-2-(dimethylamino)-N-[[(2R)-oxan-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(dimethylamino)-N-[[(2R)-oxan-2-yl]methyl]pyridine-3-carboxamide
PubChem CID96539085
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name5-bromo-2-(dimethylamino)-N-[[(2R)-oxan-2-yl]methyl]pyridine-3-carboxamide
SMILESCN(C)c1ncc(Br)cc1C(=O)NC[C@H]1CCCCO1
InChIInChI=1S/C14H20BrN3O2/c1-18(2)13-12(7-10(15)8-16-13)14(19)17-9-11-5-3-4-6-20-11/h7-8,11H,3-6,9H2,1-2H3,(H,17,19)/t11-/m1/s1
InChIKeyAFDKLWIWNKQFGL-LLVKDONJSA-N
XLogP2.21
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-methyl-N-(oxan-2-ylmethyl)benzamide
CID 104852566
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
4-amino-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81236449
5-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 62000205
N-(3-amino-2-methylpropyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide
CID 119998007
5-hydroxy-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
CID 63860323
5-amino-2-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 120624842
5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103928
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-amino-5-bromopyridine-3-carboxamide
CID 79071244
N,N-dimethyl-6-(oxan-2-ylmethylamino)pyridine-3-carboxamide
CID 78956243
1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 46642626

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(dimethylamino)-N-[[(2R)-oxan-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-(dimethylamino)-N-[[(2R)-oxan-2-yl]methyl]pyridine-3-carboxamide (CID 96539085) is 5-bromo-2-(dimethylamino)-N-[[(2R)-oxan-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(dimethylamino)-N-[[(2R)-oxan-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-(dimethylamino)-N-[[(2R)-oxan-2-yl]methyl]pyridine-3-carboxamide is CN(C)c1ncc(Br)cc1C(=O)NC[C@H]1CCCCO1.
What is the InChIKey of 5-bromo-2-(dimethylamino)-N-[[(2R)-oxan-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is AFDKLWIWNKQFGL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-18(2)13-12(7-10(15)8-16-13)14(19)17-9-11-5-3-4-6-20-11/h7-8,11H,3-6,9H2,1-2H3,(H,17,19)/t11-/m1/s1.
What are the key properties of 5-bromo-2-(dimethylamino)-N-[[(2R)-oxan-2-yl]methyl]pyridine-3-carboxamide?
5-bromo-2-(dimethylamino)-N-[[(2R)-oxan-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 342.24 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(dimethylamino)-N-[[(2R)-oxan-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 96539085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).