N-[(2-ethoxy-3-pyridinyl)methyl]-3-(oxazinan-2-yl)propanamide

C15H23N3O3 — CID 46982943

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-3-(oxazinan-2-yl)propanamide
SMILESCCOc1ncccc1CNC(=O)CCN1CCCCO1
InChIInChI=1S/C15H23N3O3/c1-2-20-15-13(6-5-8-16-15)12-17-14(19)7-10-18-9-3-4-11-21-18/h5-6,8H,2-4,7,9-12H2,1H3,(H,17,19)
InChIKeyIVDGDGQBMMNSJK-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.51
Rot. Bonds7

About N-[(2-ethoxy-3-pyridinyl)methyl]-3-(oxazinan-2-yl)propanamide

N-[(2-ethoxy-3-pyridinyl)methyl]-3-(oxazinan-2-yl)propanamide (PubChem CID 46982943) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-3-(oxazinan-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-3-(oxazinan-2-yl)propanamide
PubChem CID46982943
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-3-(oxazinan-2-yl)propanamide
SMILESCCOc1ncccc1CNC(=O)CCN1CCCCO1
InChIInChI=1S/C15H23N3O3/c1-2-20-15-13(6-5-8-16-15)12-17-14(19)7-10-18-9-3-4-11-21-18/h5-6,8H,2-4,7,9-12H2,1H3,(H,17,19)
InChIKeyIVDGDGQBMMNSJK-UHFFFAOYSA-N
XLogP1.51
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethoxy-3-pyridinyl)methyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide
CID 97206201
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-yl)propanamide
CID 37487260
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide
CID 37487509
N-[(2-ethoxy-3-pyridinyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111520352
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(4-fluorophenyl)propanamide
CID 37487522
3-(4-tert-butylphenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide
CID 37487440
N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 37486928
3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide
CID 38538413
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 38537408
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 37487153
1-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 94030850
1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea
CID 51082870

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-3-(oxazinan-2-yl)propanamide?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-3-(oxazinan-2-yl)propanamide (CID 46982943) is N-[(2-ethoxy-3-pyridinyl)methyl]-3-(oxazinan-2-yl)propanamide.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-3-(oxazinan-2-yl)propanamide?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-3-(oxazinan-2-yl)propanamide is CCOc1ncccc1CNC(=O)CCN1CCCCO1.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-3-(oxazinan-2-yl)propanamide?
The InChIKey is IVDGDGQBMMNSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-20-15-13(6-5-8-16-15)12-17-14(19)7-10-18-9-3-4-11-21-18/h5-6,8H,2-4,7,9-12H2,1H3,(H,17,19).
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-3-(oxazinan-2-yl)propanamide?
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(oxazinan-2-yl)propanamide has a molecular weight of 293.37 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-3-(oxazinan-2-yl)propanamide is sourced from PubChem (CID 46982943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).