2-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1-benzofuran-7-carboxamide

C20H20N2O4 — CID 91761769

IUPAC2-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1-benzofuran-7-carboxamide
SMILESCc1cc2cccc(C(=O)N[C@@H]3CCOC[C@H]3Oc3ccccn3)c2o1
InChIInChI=1S/C20H20N2O4/c1-13-11-14-5-4-6-15(19(14)25-13)20(23)22-16-8-10-24-12-17(16)26-18-7-2-3-9-21-18/h2-7,9,11,16-17H,8,10,12H2,1H3,(H,22,23)/t16-,17-/m1/s1
InChIKeyZJJNUJWNKBRFMU-IAGOWNOFSA-N
MW352.39 g/mol
LogP3.10
Rot. Bonds4

About 2-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1-benzofuran-7-carboxamide

2-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1-benzofuran-7-carboxamide (PubChem CID 91761769) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1-benzofuran-7-carboxamide
PubChem CID91761769
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1-benzofuran-7-carboxamide
SMILESCc1cc2cccc(C(=O)N[C@@H]3CCOC[C@H]3Oc3ccccn3)c2o1
InChIInChI=1S/C20H20N2O4/c1-13-11-14-5-4-6-15(19(14)25-13)20(23)22-16-8-10-24-12-17(16)26-18-7-2-3-9-21-18/h2-7,9,11,16-17H,8,10,12H2,1H3,(H,22,23)/t16-,17-/m1/s1
InChIKeyZJJNUJWNKBRFMU-IAGOWNOFSA-N
XLogP3.10
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-1-benzofuran-7-carboxamide
CID 91776897
N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 91796727
2-methylsulfanyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,3-thiazole-4-carboxamide
CID 91772566
2-(dimethylamino)-4-methyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyrimidine-5-carboxamide
CID 91791524
5-cyclohexyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1H-pyrazole-4-carboxamide
CID 91796853
5-(methoxymethyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]thiophene-2-carboxamide
CID 91785982
5-(2-fluorophenyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1H-pyrazole-4-carboxamide
CID 91771955
3-methyl-4-oxo-N-(3-pyridin-2-yloxyoxan-4-yl)phthalazine-1-carboxamide
CID 156608868
N'-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pentanediamide
CID 91790643
N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-2-thiophen-2-ylacetamide
CID 91791487
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]acetamide
CID 91796712
2,5-dimethyl-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]furan-3-carboxamide
CID 133268048

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1-benzofuran-7-carboxamide?
The IUPAC name of 2-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1-benzofuran-7-carboxamide (CID 91761769) is 2-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1-benzofuran-7-carboxamide.
What is the SMILES notation for 2-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1-benzofuran-7-carboxamide?
The canonical SMILES for 2-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1-benzofuran-7-carboxamide is Cc1cc2cccc(C(=O)N[C@@H]3CCOC[C@H]3Oc3ccccn3)c2o1.
What is the InChIKey of 2-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1-benzofuran-7-carboxamide?
The InChIKey is ZJJNUJWNKBRFMU-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13-11-14-5-4-6-15(19(14)25-13)20(23)22-16-8-10-24-12-17(16)26-18-7-2-3-9-21-18/h2-7,9,11,16-17H,8,10,12H2,1H3,(H,22,23)/t16-,17-/m1/s1.
What are the key properties of 2-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1-benzofuran-7-carboxamide?
2-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1-benzofuran-7-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1-benzofuran-7-carboxamide is sourced from PubChem (CID 91761769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).