2-[[1-(3-amino-3-iminopropyl)-2-oxo-3-pyridinyl]oxy]-N-phenylacetamide

C16H18N4O3 — CID 83967823

IUPAC2-[[1-(3-amino-3-iminopropyl)-2-oxo-3-pyridinyl]oxy]-N-phenylacetamide
SMILES[H]/N=C(\N)CCn1cccc(OCC(=O)Nc2ccccc2)c1=O
InChIInChI=1S/C16H18N4O3/c17-14(18)8-10-20-9-4-7-13(16(20)22)23-11-15(21)19-12-5-2-1-3-6-12/h1-7,9H,8,10-11H2,(H3,17,18)(H,19,21)
InChIKeyDXIRAMAYJOYBEP-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.19
Rot. Bonds7

About 2-[[1-(3-amino-3-iminopropyl)-2-oxo-3-pyridinyl]oxy]-N-phenylacetamide

2-[[1-(3-amino-3-iminopropyl)-2-oxo-3-pyridinyl]oxy]-N-phenylacetamide (PubChem CID 83967823) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-[[1-(3-amino-3-iminopropyl)-2-oxo-3-pyridinyl]oxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[1-(3-amino-3-iminopropyl)-2-oxo-3-pyridinyl]oxy]-N-phenylacetamide
PubChem CID83967823
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name2-[[1-(3-amino-3-iminopropyl)-2-oxo-3-pyridinyl]oxy]-N-phenylacetamide
SMILES[H]/N=C(\N)CCn1cccc(OCC(=O)Nc2ccccc2)c1=O
InChIInChI=1S/C16H18N4O3/c17-14(18)8-10-20-9-4-7-13(16(20)22)23-11-15(21)19-12-5-2-1-3-6-12/h1-7,9H,8,10-11H2,(H3,17,18)(H,19,21)
InChIKeyDXIRAMAYJOYBEP-UHFFFAOYSA-N
XLogP1.19
TPSA110.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]oxy]-N-phenylacetamide
CID 82150868
2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-phenylacetamide
CID 7293077
2-[2-(4-fluoroanilino)-2-oxoethoxy]benzamide
CID 7283884
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-propylacetamide
CID 82056289
2-(2-aminophenoxy)-N-(4-fluorophenyl)acetamide
CID 16789642
2-[2-[(E)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide
CID 6520725
4-[[2-(2-iodophenoxy)acetyl]amino]benzamide
CID 38878336
2-[[3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]methyl]benzoic acid
CID 94745787
4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide
CID 724713
2-aminooxy-N-phenylacetamide
CID 68980997
2-(2-anilino-2-oxoethoxy)-6-chlorobenzoic acid
CID 78975129

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-amino-3-iminopropyl)-2-oxo-3-pyridinyl]oxy]-N-phenylacetamide?
The IUPAC name of 2-[[1-(3-amino-3-iminopropyl)-2-oxo-3-pyridinyl]oxy]-N-phenylacetamide (CID 83967823) is 2-[[1-(3-amino-3-iminopropyl)-2-oxo-3-pyridinyl]oxy]-N-phenylacetamide.
What is the SMILES notation for 2-[[1-(3-amino-3-iminopropyl)-2-oxo-3-pyridinyl]oxy]-N-phenylacetamide?
The canonical SMILES for 2-[[1-(3-amino-3-iminopropyl)-2-oxo-3-pyridinyl]oxy]-N-phenylacetamide is [H]/N=C(\N)CCn1cccc(OCC(=O)Nc2ccccc2)c1=O.
What is the InChIKey of 2-[[1-(3-amino-3-iminopropyl)-2-oxo-3-pyridinyl]oxy]-N-phenylacetamide?
The InChIKey is DXIRAMAYJOYBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c17-14(18)8-10-20-9-4-7-13(16(20)22)23-11-15(21)19-12-5-2-1-3-6-12/h1-7,9H,8,10-11H2,(H3,17,18)(H,19,21).
What are the key properties of 2-[[1-(3-amino-3-iminopropyl)-2-oxo-3-pyridinyl]oxy]-N-phenylacetamide?
2-[[1-(3-amino-3-iminopropyl)-2-oxo-3-pyridinyl]oxy]-N-phenylacetamide has a molecular weight of 314.34 g/mol, XLogP of 1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-amino-3-iminopropyl)-2-oxo-3-pyridinyl]oxy]-N-phenylacetamide is sourced from PubChem (CID 83967823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).