N-[(3S,4R)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-benzofuran-3-carboxamide

C20H20N2O4 — CID 133264780

IUPACN-[(3S,4R)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-benzofuran-3-carboxamide
SMILESCc1ccc(O[C@@H]2CCOC[C@@H]2NC(=O)c2coc3ccccc23)cn1
InChIInChI=1S/C20H20N2O4/c1-13-6-7-14(10-21-13)26-19-8-9-24-12-17(19)22-20(23)16-11-25-18-5-3-2-4-15(16)18/h2-7,10-11,17,19H,8-9,12H2,1H3,(H,22,23)/t17-,19+/m0/s1
InChIKeyTZERPTARKKMVMO-PKOBYXMFSA-N
MW352.39 g/mol
LogP3.10
Rot. Bonds4

About N-[(3S,4R)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-benzofuran-3-carboxamide

N-[(3S,4R)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-benzofuran-3-carboxamide (PubChem CID 133264780) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-benzofuran-3-carboxamide
PubChem CID133264780
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-[(3S,4R)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-benzofuran-3-carboxamide
SMILESCc1ccc(O[C@@H]2CCOC[C@@H]2NC(=O)c2coc3ccccc23)cn1
InChIInChI=1S/C20H20N2O4/c1-13-6-7-14(10-21-13)26-19-8-9-24-12-17(19)22-20(23)16-11-25-18-5-3-2-4-15(16)18/h2-7,10-11,17,19H,8-9,12H2,1H3,(H,22,23)/t17-,19+/m0/s1
InChIKeyTZERPTARKKMVMO-PKOBYXMFSA-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

N-[(3S,4R)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 133260542
N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 91786809
2,5-dimethyl-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]furan-3-carboxamide
CID 133268048
3-(methanesulfonamido)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]propanamide
CID 91789955
2-ethoxy-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]pyridine-3-carboxamide
CID 133267607
N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-3-pyrazin-2-ylpropanamide
CID 91760405
2-methyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]propanamide
CID 91787096
N-[(3R,4S)-4-phenoxyoxan-3-yl]quinoxaline-5-carboxamide
CID 91779085
5-ethyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]thiophene-3-carboxamide
CID 91780113
N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 91763480
2-(dimethylamino)-4-methyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyrimidine-5-carboxamide
CID 91791524
3-amino-4-chloro-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-1H-pyrazole-5-carboxamide
CID 91780973

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-benzofuran-3-carboxamide?
The IUPAC name of N-[(3S,4R)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-benzofuran-3-carboxamide (CID 133264780) is N-[(3S,4R)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-benzofuran-3-carboxamide is Cc1ccc(O[C@@H]2CCOC[C@@H]2NC(=O)c2coc3ccccc23)cn1.
What is the InChIKey of N-[(3S,4R)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-benzofuran-3-carboxamide?
The InChIKey is TZERPTARKKMVMO-PKOBYXMFSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13-6-7-14(10-21-13)26-19-8-9-24-12-17(19)22-20(23)16-11-25-18-5-3-2-4-15(16)18/h2-7,10-11,17,19H,8-9,12H2,1H3,(H,22,23)/t17-,19+/m0/s1.
What are the key properties of N-[(3S,4R)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-benzofuran-3-carboxamide?
N-[(3S,4R)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-benzofuran-3-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 N-[(3S,4R)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 133264780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).