N-(5-bromo-2-pyridinyl)-2-(oxan-4-yl)acetamide

C12H15BrN2O2 — CID 115274048

IUPACN-(5-bromo-2-pyridinyl)-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)Nc1ccc(Br)cn1
InChIInChI=1S/C12H15BrN2O2/c13-10-1-2-11(14-8-10)15-12(16)7-9-3-5-17-6-4-9/h1-2,8-9H,3-7H2,(H,14,15,16)
InChIKeyQGYNSGBMVOWKLG-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.60
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-2-(oxan-4-yl)acetamide

N-(5-bromo-2-pyridinyl)-2-(oxan-4-yl)acetamide (PubChem CID 115274048) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-(oxan-4-yl)acetamide
PubChem CID115274048
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC NameN-(5-bromo-2-pyridinyl)-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)Nc1ccc(Br)cn1
InChIInChI=1S/C12H15BrN2O2/c13-10-1-2-11(14-8-10)15-12(16)7-9-3-5-17-6-4-9/h1-2,8-9H,3-7H2,(H,14,15,16)
InChIKeyQGYNSGBMVOWKLG-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 60712565
2-cyclohexyl-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 43049107
5-[[2-(oxan-4-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 115273633
2-(oxan-4-yl)-N-phenylacetamide
CID 110856528
(2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide
CID 7346608
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(5-bromo-2-pyridinyl)acetamide
CID 61234995
N-(5-bromo-2-pyridinyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;dihydrochloride
CID 119928120
N-(5-bromo-2-pyridinyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 115274071
1-(5-bromo-2-pyridinyl)-3-(oxolan-2-yl)urea
CID 108887933
N-(5-bromo-2-pyridinyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide
CID 119926681
N-(5-bromo-2-pyridinyl)-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide
CID 60510517

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-(oxan-4-yl)acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-(oxan-4-yl)acetamide (CID 115274048) is N-(5-bromo-2-pyridinyl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-(oxan-4-yl)acetamide is O=C(CC1CCOCC1)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-(oxan-4-yl)acetamide?
The InChIKey is QGYNSGBMVOWKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-10-1-2-11(14-8-10)15-12(16)7-9-3-5-17-6-4-9/h1-2,8-9H,3-7H2,(H,14,15,16).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-(oxan-4-yl)acetamide?
N-(5-bromo-2-pyridinyl)-2-(oxan-4-yl)acetamide has a molecular weight of 299.17 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 115274048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).