6-cyclobutyl-4-methyl-N-(2-methyl-1-benzofuran-7-yl)-2-oxopyran-3-carboxamide

C20H19NO4 — CID 170511370

IUPAC6-cyclobutyl-4-methyl-N-(2-methyl-1-benzofuran-7-yl)-2-oxopyran-3-carboxamide
SMILESCc1cc2cccc(NC(=O)c3c(C)cc(C4CCC4)oc3=O)c2o1
InChIInChI=1S/C20H19NO4/c1-11-9-16(13-5-3-6-13)25-20(23)17(11)19(22)21-15-8-4-7-14-10-12(2)24-18(14)15/h4,7-10,13H,3,5-6H2,1-2H3,(H,21,22)
InChIKeyWJOZFSAJOPDXOW-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.52
Rot. Bonds3

About 6-cyclobutyl-4-methyl-N-(2-methyl-1-benzofuran-7-yl)-2-oxopyran-3-carboxamide

6-cyclobutyl-4-methyl-N-(2-methyl-1-benzofuran-7-yl)-2-oxopyran-3-carboxamide (PubChem CID 170511370) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-cyclobutyl-4-methyl-N-(2-methyl-1-benzofuran-7-yl)-2-oxopyran-3-carboxamide.

Molecular Properties

Compound Name6-cyclobutyl-4-methyl-N-(2-methyl-1-benzofuran-7-yl)-2-oxopyran-3-carboxamide
PubChem CID170511370
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name6-cyclobutyl-4-methyl-N-(2-methyl-1-benzofuran-7-yl)-2-oxopyran-3-carboxamide
SMILESCc1cc2cccc(NC(=O)c3c(C)cc(C4CCC4)oc3=O)c2o1
InChIInChI=1S/C20H19NO4/c1-11-9-16(13-5-3-6-13)25-20(23)17(11)19(22)21-15-8-4-7-14-10-12(2)24-18(14)15/h4,7-10,13H,3,5-6H2,1-2H3,(H,21,22)
InChIKeyWJOZFSAJOPDXOW-UHFFFAOYSA-N
XLogP4.52
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclobutyl-N-(2,6-dimethoxy-3-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide
CID 170509223
methyl 3-[(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)amino]benzoate
CID 170505549
6-cyclobutyl-4-methyl-N-(1,7-naphthyridin-8-yl)-2-oxopyran-3-carboxamide
CID 170503536
N-(2,3-dihydro-1H-inden-4-yl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 170507768
6-cyclobutyl-N-(3,5-dimethyl-2-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide
CID 171389472
4-methyl-N-(2-methylbenzotriazol-4-yl)-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170511961
4-methyl-N-(2-methylquinolin-5-yl)-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide
CID 170510231
4-methyl-N-(2-methyl-1H-benzimidazol-4-yl)-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 170502476
6-cyclobutyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-methyl-2-oxopyran-3-carboxamide
CID 170510285
4-methyl-N-(2-methylbenzotriazol-4-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
CID 171709128
N-(2-fluoro-5-methylphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170511577
6-cyclobutyl-4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxopyran-3-carboxamide
CID 170504165

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-4-methyl-N-(2-methyl-1-benzofuran-7-yl)-2-oxopyran-3-carboxamide?
The IUPAC name of 6-cyclobutyl-4-methyl-N-(2-methyl-1-benzofuran-7-yl)-2-oxopyran-3-carboxamide (CID 170511370) is 6-cyclobutyl-4-methyl-N-(2-methyl-1-benzofuran-7-yl)-2-oxopyran-3-carboxamide.
What is the SMILES notation for 6-cyclobutyl-4-methyl-N-(2-methyl-1-benzofuran-7-yl)-2-oxopyran-3-carboxamide?
The canonical SMILES for 6-cyclobutyl-4-methyl-N-(2-methyl-1-benzofuran-7-yl)-2-oxopyran-3-carboxamide is Cc1cc2cccc(NC(=O)c3c(C)cc(C4CCC4)oc3=O)c2o1.
What is the InChIKey of 6-cyclobutyl-4-methyl-N-(2-methyl-1-benzofuran-7-yl)-2-oxopyran-3-carboxamide?
The InChIKey is WJOZFSAJOPDXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-11-9-16(13-5-3-6-13)25-20(23)17(11)19(22)21-15-8-4-7-14-10-12(2)24-18(14)15/h4,7-10,13H,3,5-6H2,1-2H3,(H,21,22).
What are the key properties of 6-cyclobutyl-4-methyl-N-(2-methyl-1-benzofuran-7-yl)-2-oxopyran-3-carboxamide?
6-cyclobutyl-4-methyl-N-(2-methyl-1-benzofuran-7-yl)-2-oxopyran-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-4-methyl-N-(2-methyl-1-benzofuran-7-yl)-2-oxopyran-3-carboxamide is sourced from PubChem (CID 170511370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).