2-acetamido-N-methyl-3-(pyridin-3-ylmethoxy)butanamide

C13H19N3O3 — CID 164604250

IUPAC2-acetamido-N-methyl-3-(pyridin-3-ylmethoxy)butanamide
SMILESCNC(=O)C(NC(C)=O)C(C)OCc1cccnc1
InChIInChI=1S/C13H19N3O3/c1-9(12(13(18)14-3)16-10(2)17)19-8-11-5-4-6-15-7-11/h4-7,9,12H,8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyYUYRPZJPHNTRLD-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.24
Rot. Bonds6

About 2-acetamido-N-methyl-3-(pyridin-3-ylmethoxy)butanamide

2-acetamido-N-methyl-3-(pyridin-3-ylmethoxy)butanamide (PubChem CID 164604250) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-acetamido-N-methyl-3-(pyridin-3-ylmethoxy)butanamide.

Molecular Properties

Compound Name2-acetamido-N-methyl-3-(pyridin-3-ylmethoxy)butanamide
PubChem CID164604250
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-acetamido-N-methyl-3-(pyridin-3-ylmethoxy)butanamide
SMILESCNC(=O)C(NC(C)=O)C(C)OCc1cccnc1
InChIInChI=1S/C13H19N3O3/c1-9(12(13(18)14-3)16-10(2)17)19-8-11-5-4-6-15-7-11/h4-7,9,12H,8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyYUYRPZJPHNTRLD-UHFFFAOYSA-N
XLogP0.24
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylmethoxy-N-(pyridin-3-ylmethyl)propanamide
CID 42959352
N-methyl-2-(2-pyridin-3-ylethylamino)propanamide
CID 60912739
3-methyl-2-(pyridin-3-ylmethoxycarbonylamino)butanoic acid
CID 22903368
methyl 3-methyl-2-(pyridin-3-ylmethoxycarbonylamino)butanoate
CID 22910259
(2S)-N-propan-2-yl-2-[4-(pyridin-3-ylmethoxy)phenoxy]propanamide
CID 94538513
N,4-dimethyl-2-(pyridin-3-ylmethylamino)pentanamide
CID 43750569
N-(1-oxo-3-pyridin-3-ylpropan-2-yl)acetamide
CID 21464846
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 55100610
pyridin-3-ylmethyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 21489285
(2R)-2-phenylmethoxy-N-pyridin-3-ylsulfonylpropanamide
CID 94189477
6-methyl-1-pyridin-3-ylheptane-3,5-dione
CID 159181392

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-methyl-3-(pyridin-3-ylmethoxy)butanamide?
The IUPAC name of 2-acetamido-N-methyl-3-(pyridin-3-ylmethoxy)butanamide (CID 164604250) is 2-acetamido-N-methyl-3-(pyridin-3-ylmethoxy)butanamide.
What is the SMILES notation for 2-acetamido-N-methyl-3-(pyridin-3-ylmethoxy)butanamide?
The canonical SMILES for 2-acetamido-N-methyl-3-(pyridin-3-ylmethoxy)butanamide is CNC(=O)C(NC(C)=O)C(C)OCc1cccnc1.
What is the InChIKey of 2-acetamido-N-methyl-3-(pyridin-3-ylmethoxy)butanamide?
The InChIKey is YUYRPZJPHNTRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(12(13(18)14-3)16-10(2)17)19-8-11-5-4-6-15-7-11/h4-7,9,12H,8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-acetamido-N-methyl-3-(pyridin-3-ylmethoxy)butanamide?
2-acetamido-N-methyl-3-(pyridin-3-ylmethoxy)butanamide has a molecular weight of 265.31 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-methyl-3-(pyridin-3-ylmethoxy)butanamide is sourced from PubChem (CID 164604250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).