N-(3-hydroxy-6-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C13H16N2O3 — CID 153395407

IUPACN-(3-hydroxy-6-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1ccc(O)c(NC(=O)C2CC3CCC2O3)n1
InChIInChI=1S/C13H16N2O3/c1-7-2-4-10(16)12(14-7)15-13(17)9-6-8-3-5-11(9)18-8/h2,4,8-9,11,16H,3,5-6H2,1H3,(H,14,15,17)
InChIKeyHAIYPJFMQFODKZ-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.60
Rot. Bonds2

About N-(3-hydroxy-6-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

N-(3-hydroxy-6-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 153395407) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(3-hydroxy-6-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-6-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID153395407
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(3-hydroxy-6-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1ccc(O)c(NC(=O)C2CC3CCC2O3)n1
InChIInChI=1S/C13H16N2O3/c1-7-2-4-10(16)12(14-7)15-13(17)9-6-8-3-5-11(9)18-8/h2,4,8-9,11,16H,3,5-6H2,1H3,(H,14,15,17)
InChIKeyHAIYPJFMQFODKZ-UHFFFAOYSA-N
XLogP1.60
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-3-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 75430218
N-(5-cyano-2-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 71979950
5-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)pyridine-2-carboxylic acid
CID 126835225
(1S,2R,4R)-N-(2H-triazol-4-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 154867617
N-(3-hydroxy-6-methyl-2-pyridinyl)-3-methylpiperidine-2-carboxamide
CID 107068551
N-(4-pyridin-4-ylsulfanylphenyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 166230075
(1R,2R,4R)-N-(2H-benzotriazol-5-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 98850278
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 154837433
(1R,2R,4S)-N-[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 166292898
(1S,2R,4R)-N-(2-bromo-6-fluorophenyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 97007827
(1S,2R,4R)-N-[5-bromo-4-(dimethylamino)-2-pyridinyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 128665165
(1S,2R,4R)-N-benzyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 124504672

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-6-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(3-hydroxy-6-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 153395407) is N-(3-hydroxy-6-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-6-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-6-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide is Cc1ccc(O)c(NC(=O)C2CC3CCC2O3)n1.
What is the InChIKey of N-(3-hydroxy-6-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is HAIYPJFMQFODKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-7-2-4-10(16)12(14-7)15-13(17)9-6-8-3-5-11(9)18-8/h2,4,8-9,11,16H,3,5-6H2,1H3,(H,14,15,17).
What are the key properties of N-(3-hydroxy-6-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
N-(3-hydroxy-6-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-6-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 153395407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).