N-(oxan-3-yl)-4-(pyridin-2-ylmethoxy)benzamide

C18H20N2O3 — CID 84584798

IUPACN-(oxan-3-yl)-4-(pyridin-2-ylmethoxy)benzamide
SMILESO=C(NC1CCCOC1)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C18H20N2O3/c21-18(20-16-5-3-11-22-12-16)14-6-8-17(9-7-14)23-13-15-4-1-2-10-19-15/h1-2,4,6-10,16H,3,5,11-13H2,(H,20,21)
InChIKeyBNGYPGNGLKNYJX-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.57
Rot. Bonds5

About N-(oxan-3-yl)-4-(pyridin-2-ylmethoxy)benzamide

N-(oxan-3-yl)-4-(pyridin-2-ylmethoxy)benzamide (PubChem CID 84584798) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(oxan-3-yl)-4-(pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(oxan-3-yl)-4-(pyridin-2-ylmethoxy)benzamide
PubChem CID84584798
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(oxan-3-yl)-4-(pyridin-2-ylmethoxy)benzamide
SMILESO=C(NC1CCCOC1)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C18H20N2O3/c21-18(20-16-5-3-11-22-12-16)14-6-8-17(9-7-14)23-13-15-4-1-2-10-19-15/h1-2,4,6-10,16H,3,5,11-13H2,(H,20,21)
InChIKeyBNGYPGNGLKNYJX-UHFFFAOYSA-N
XLogP2.57
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]benzamide
CID 66864205
4-[(1R)-2-cyclopentyl-1-[4-(pyridin-2-ylmethoxy)phenyl]ethyl]-N-piperidin-4-ylbenzamide
CID 143789516
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55859103
N-(oxan-3-yl)-2-phenoxyacetamide
CID 142540024
[(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 124575554
N-[(1-methylpiperidin-3-yl)methyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 71998635
N-(1-methylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide
CID 66863811
N-(1-methylpiperidin-4-yl)-4-[(1R,2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide
CID 58095607
4-(N'-hydroxycarbamimidoyl)-N-(oxan-3-yl)benzamide
CID 76995462
3,5-dihydroxy-N-(oxan-3-yl)benzamide
CID 103941335
4-hydroxy-N-(oxolan-3-yl)benzamide
CID 80713158
4-(3-methoxy-2-pyridinyl)-N-[(3S)-oxolan-3-yl]benzamide
CID 126447092

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-yl)-4-(pyridin-2-ylmethoxy)benzamide?
The IUPAC name of N-(oxan-3-yl)-4-(pyridin-2-ylmethoxy)benzamide (CID 84584798) is N-(oxan-3-yl)-4-(pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(oxan-3-yl)-4-(pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for N-(oxan-3-yl)-4-(pyridin-2-ylmethoxy)benzamide is O=C(NC1CCCOC1)c1ccc(OCc2ccccn2)cc1.
What is the InChIKey of N-(oxan-3-yl)-4-(pyridin-2-ylmethoxy)benzamide?
The InChIKey is BNGYPGNGLKNYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-18(20-16-5-3-11-22-12-16)14-6-8-17(9-7-14)23-13-15-4-1-2-10-19-15/h1-2,4,6-10,16H,3,5,11-13H2,(H,20,21).
What are the key properties of N-(oxan-3-yl)-4-(pyridin-2-ylmethoxy)benzamide?
N-(oxan-3-yl)-4-(pyridin-2-ylmethoxy)benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-yl)-4-(pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 84584798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).