3-(oxazinan-2-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide

C17H25N3O4 — CID 91787905

IUPAC3-(oxazinan-2-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide
SMILESO=C(CCN1CCCCO1)N[C@@H]1CCOC[C@H]1Oc1ccccn1
InChIInChI=1S/C17H25N3O4/c21-16(6-10-20-9-3-4-11-23-20)19-14-7-12-22-13-15(14)24-17-5-1-2-8-18-17/h1-2,5,8,14-15H,3-4,6-7,9-13H2,(H,19,21)/t14-,15-/m1/s1
InChIKeyJGZLELKSMLMUCC-HUUCEWRRSA-N
MW335.40 g/mol
LogP1.15
Rot. Bonds6

About 3-(oxazinan-2-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide

3-(oxazinan-2-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide (PubChem CID 91787905) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 3-(oxazinan-2-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide.

Molecular Properties

Compound Name3-(oxazinan-2-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide
PubChem CID91787905
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name3-(oxazinan-2-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide
SMILESO=C(CCN1CCCCO1)N[C@@H]1CCOC[C@H]1Oc1ccccn1
InChIInChI=1S/C17H25N3O4/c21-16(6-10-20-9-3-4-11-23-20)19-14-7-12-22-13-15(14)24-17-5-1-2-8-18-17/h1-2,5,8,14-15H,3-4,6-7,9-13H2,(H,19,21)/t14-,15-/m1/s1
InChIKeyJGZLELKSMLMUCC-HUUCEWRRSA-N
XLogP1.15
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,2-oxazolidin-2-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide
CID 91772511
3-(oxazinan-2-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
CID 91795731
N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-3-(oxazinan-2-yl)propanamide
CID 133267645
N'-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pentanediamide
CID 91790643
3-(1H-pyrazol-4-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide
CID 91790641
N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-2-thiophen-2-ylacetamide
CID 91791487
1-(pyrazol-1-ylmethyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]cyclopropane-1-carboxamide
CID 91770277
2-[methyl(pyridin-4-ylmethyl)amino]-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]acetamide
CID 91791415
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]acetamide
CID 91796712
3-(methanesulfonamido)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide
CID 91792493
3-methyl-4-oxo-N-(3-pyridin-2-yloxyoxan-4-yl)phthalazine-1-carboxamide
CID 156608868
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide
CID 91776738

Frequently Asked Questions

What is the IUPAC name of 3-(oxazinan-2-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide?
The IUPAC name of 3-(oxazinan-2-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide (CID 91787905) is 3-(oxazinan-2-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide.
What is the SMILES notation for 3-(oxazinan-2-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide?
The canonical SMILES for 3-(oxazinan-2-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide is O=C(CCN1CCCCO1)N[C@@H]1CCOC[C@H]1Oc1ccccn1.
What is the InChIKey of 3-(oxazinan-2-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide?
The InChIKey is JGZLELKSMLMUCC-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H25N3O4/c21-16(6-10-20-9-3-4-11-23-20)19-14-7-12-22-13-15(14)24-17-5-1-2-8-18-17/h1-2,5,8,14-15H,3-4,6-7,9-13H2,(H,19,21)/t14-,15-/m1/s1.
What are the key properties of 3-(oxazinan-2-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide?
3-(oxazinan-2-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide has a molecular weight of 335.40 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxazinan-2-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide is sourced from PubChem (CID 91787905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).