N-(5-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide

C12H13BrN2O2 — CID 129248687

IUPACN-(5-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(Br)cn2)COCC1
InChIInChI=1S/C12H13BrN2O2/c1-8-4-5-17-7-10(8)12(16)15-11-3-2-9(13)6-14-11/h2-3,6H,4-5,7H2,1H3,(H,14,15,16)
InChIKeyLMUFRIIWMZMBHB-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.52
Rot. Bonds2

About N-(5-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide

N-(5-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide (PubChem CID 129248687) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide
PubChem CID129248687
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC NameN-(5-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(Br)cn2)COCC1
InChIInChI=1S/C12H13BrN2O2/c1-8-4-5-17-7-10(8)12(16)15-11-3-2-9(13)6-14-11/h2-3,6H,4-5,7H2,1H3,(H,14,15,16)
InChIKeyLMUFRIIWMZMBHB-UHFFFAOYSA-N
XLogP2.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-pyridinyl)-3,5-dimethylbenzamide
CID 953685
N-(5-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026213
N-(5-bromo-2-pyridinyl)-5-methylthiophene-3-carboxamide
CID 17218099
N-(5-bromo-2-pyridinyl)-4-chloropyridine-2-carboxamide
CID 43111935
N-(5-acetyl-2-pyridinyl)-5-bromopyridine-2-carboxamide
CID 75514307
N-(5-bromo-2-pyridinyl)-1H-pyrazole-5-carboxamide
CID 60778171
N-(5-bromo-2-pyridinyl)-6-(methylamino)pyridine-2-carboxamide
CID 62238936
N-(5-bromo-2-pyridinyl)-2-(oxan-4-yl)acetamide
CID 115274048
6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62958252
N-(5-bromo-2-pyridinyl)-2-iodo-3-methylbenzamide
CID 103617949
N-(5-bromo-2-pyridinyl)-4-hydroxy-3-methylbenzamide
CID 103956611
4-[(5-bromo-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid
CID 113384992

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide (CID 129248687) is N-(5-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide is CC1=C(C(=O)Nc2ccc(Br)cn2)COCC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide?
The InChIKey is LMUFRIIWMZMBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-8-4-5-17-7-10(8)12(16)15-11-3-2-9(13)6-14-11/h2-3,6H,4-5,7H2,1H3,(H,14,15,16).
What are the key properties of N-(5-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide?
N-(5-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide has a molecular weight of 297.15 g/mol, XLogP of 2.52, 2 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)-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 129248687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).