N'-[2-[(2-ethoxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-prop-2-enyloxamide

C15H20N4O4 — CID 51109269

IUPACN'-[2-[(2-ethoxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCC(=O)NCc1ccnc(OCC)c1
InChIInChI=1S/C15H20N4O4/c1-3-6-17-14(21)15(22)19-10-12(20)18-9-11-5-7-16-13(8-11)23-4-2/h3,5,7-8H,1,4,6,9-10H2,2H3,(H,17,21)(H,18,20)(H,19,22)
InChIKeyNDAWRUPGZVTQHS-UHFFFAOYSA-N
MW320.35 g/mol
LogP-0.49
Rot. Bonds8

About N'-[2-[(2-ethoxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-prop-2-enyloxamide

N'-[2-[(2-ethoxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-prop-2-enyloxamide (PubChem CID 51109269) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is N'-[2-[(2-ethoxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[2-[(2-ethoxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-prop-2-enyloxamide
PubChem CID51109269
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC NameN'-[2-[(2-ethoxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCC(=O)NCc1ccnc(OCC)c1
InChIInChI=1S/C15H20N4O4/c1-3-6-17-14(21)15(22)19-10-12(20)18-9-11-5-7-16-13(8-11)23-4-2/h3,5,7-8H,1,4,6,9-10H2,2H3,(H,17,21)(H,18,20)(H,19,22)
InChIKeyNDAWRUPGZVTQHS-UHFFFAOYSA-N
XLogP-0.49
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703944
N-[(2-ethoxy-4-pyridinyl)methyl]-4-naphthalen-1-yloxybutanamide
CID 55707854
N-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide
CID 62995403
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]acetamide
CID 78876056
N-[2-[(2-methoxy-4-pyridinyl)methylamino]-2-oxoethyl]benzamide
CID 25343533
N-[2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylamino]-2-oxoethyl]propanamide
CID 51104118
4-amino-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]butanamide
CID 119847529
3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide
CID 56791210
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]butanamide
CID 55723602
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 62994356
4-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]benzamide
CID 55716054
N-[(2-ethoxy-4-pyridinyl)methyl]-1-benzothiophene-2-carboxamide
CID 52606280

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(2-ethoxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-prop-2-enyloxamide?
The IUPAC name of N'-[2-[(2-ethoxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-prop-2-enyloxamide (CID 51109269) is N'-[2-[(2-ethoxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[2-[(2-ethoxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[2-[(2-ethoxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)NCC(=O)NCc1ccnc(OCC)c1.
What is the InChIKey of N'-[2-[(2-ethoxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-prop-2-enyloxamide?
The InChIKey is NDAWRUPGZVTQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-3-6-17-14(21)15(22)19-10-12(20)18-9-11-5-7-16-13(8-11)23-4-2/h3,5,7-8H,1,4,6,9-10H2,2H3,(H,17,21)(H,18,20)(H,19,22).
What are the key properties of N'-[2-[(2-ethoxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-prop-2-enyloxamide?
N'-[2-[(2-ethoxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-prop-2-enyloxamide has a molecular weight of 320.35 g/mol, XLogP of -0.49, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(2-ethoxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-prop-2-enyloxamide is sourced from PubChem (CID 51109269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).