N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-3-(oxazinan-2-yl)propanamide

C18H27N3O4 — CID 133267645

IUPACN-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-3-(oxazinan-2-yl)propanamide
SMILESCc1ccc(O[C@@H]2COCC[C@@H]2NC(=O)CCN2CCCCO2)cn1
InChIInChI=1S/C18H27N3O4/c1-14-4-5-15(12-19-14)25-17-13-23-11-7-16(17)20-18(22)6-9-21-8-2-3-10-24-21/h4-5,12,16-17H,2-3,6-11,13H2,1H3,(H,20,22)/t16-,17+/m0/s1
InChIKeyVJPYSQMXRZLGPH-DLBZAZTESA-N
MW349.43 g/mol
LogP1.46
Rot. Bonds6

About N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-3-(oxazinan-2-yl)propanamide

N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-3-(oxazinan-2-yl)propanamide (PubChem CID 133267645) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-3-(oxazinan-2-yl)propanamide.

Molecular Properties

Compound NameN-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-3-(oxazinan-2-yl)propanamide
PubChem CID133267645
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC NameN-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-3-(oxazinan-2-yl)propanamide
SMILESCc1ccc(O[C@@H]2COCC[C@@H]2NC(=O)CCN2CCCCO2)cn1
InChIInChI=1S/C18H27N3O4/c1-14-4-5-15(12-19-14)25-17-13-23-11-7-16(17)20-18(22)6-9-21-8-2-3-10-24-21/h4-5,12,16-17H,2-3,6-11,13H2,1H3,(H,20,22)/t16-,17+/m0/s1
InChIKeyVJPYSQMXRZLGPH-DLBZAZTESA-N
XLogP1.46
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-3-(oxazinan-2-yl)propanamide?
The IUPAC name of N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-3-(oxazinan-2-yl)propanamide (CID 133267645) is N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-3-(oxazinan-2-yl)propanamide.
What is the SMILES notation for N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-3-(oxazinan-2-yl)propanamide?
The canonical SMILES for N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-3-(oxazinan-2-yl)propanamide is Cc1ccc(O[C@@H]2COCC[C@@H]2NC(=O)CCN2CCCCO2)cn1.
What is the InChIKey of N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-3-(oxazinan-2-yl)propanamide?
The InChIKey is VJPYSQMXRZLGPH-DLBZAZTESA-N. The full InChI is InChI=1S/C18H27N3O4/c1-14-4-5-15(12-19-14)25-17-13-23-11-7-16(17)20-18(22)6-9-21-8-2-3-10-24-21/h4-5,12,16-17H,2-3,6-11,13H2,1H3,(H,20,22)/t16-,17+/m0/s1.
What are the key properties of N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-3-(oxazinan-2-yl)propanamide?
N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-3-(oxazinan-2-yl)propanamide has a molecular weight of 349.43 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-3-(oxazinan-2-yl)propanamide is sourced from PubChem (CID 133267645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).