2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-phenylpyridine-3-carboxamide

C19H20N2O2 — CID 133265545

IUPAC2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-phenylpyridine-3-carboxamide
SMILESCc1nccc(-c2ccccc2)c1C(=O)N[C@@H]1C[C@H]2OCC[C@@H]12
InChIInChI=1S/C19H20N2O2/c1-12-18(14(7-9-20-12)13-5-3-2-4-6-13)19(22)21-16-11-17-15(16)8-10-23-17/h2-7,9,15-17H,8,10-11H2,1H3,(H,21,22)/t15-,16+,17+/m0/s1
InChIKeyWQAGXFNMTMWBEZ-GVDBMIGSSA-N
MW308.38 g/mol
LogP2.96
Rot. Bonds3

About 2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-phenylpyridine-3-carboxamide

2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-phenylpyridine-3-carboxamide (PubChem CID 133265545) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-phenylpyridine-3-carboxamide
PubChem CID133265545
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-phenylpyridine-3-carboxamide
SMILESCc1nccc(-c2ccccc2)c1C(=O)N[C@@H]1C[C@H]2OCC[C@@H]12
InChIInChI=1S/C19H20N2O2/c1-12-18(14(7-9-20-12)13-5-3-2-4-6-13)19(22)21-16-11-17-15(16)8-10-23-17/h2-7,9,15-17H,8,10-11H2,1H3,(H,21,22)/t15-,16+,17+/m0/s1
InChIKeyWQAGXFNMTMWBEZ-GVDBMIGSSA-N
XLogP2.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-phenylpyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-phenylpyridine-3-carboxamide (CID 133265545) is 2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-phenylpyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-phenylpyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-phenylpyridine-3-carboxamide is Cc1nccc(-c2ccccc2)c1C(=O)N[C@@H]1C[C@H]2OCC[C@@H]12.
What is the InChIKey of 2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-phenylpyridine-3-carboxamide?
The InChIKey is WQAGXFNMTMWBEZ-GVDBMIGSSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12-18(14(7-9-20-12)13-5-3-2-4-6-13)19(22)21-16-11-17-15(16)8-10-23-17/h2-7,9,15-17H,8,10-11H2,1H3,(H,21,22)/t15-,16+,17+/m0/s1.
What are the key properties of 2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-phenylpyridine-3-carboxamide?
2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-phenylpyridine-3-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-phenylpyridine-3-carboxamide is sourced from PubChem (CID 133265545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).